diff --git a/chromatopy/readers/agilent_txt.py b/chromatopy/readers/agilent_txt.py new file mode 100644 index 0000000..66a6cef --- /dev/null +++ b/chromatopy/readers/agilent_txt.py @@ -0,0 +1,191 @@ +import re +from pathlib import Path + +from chromatopy.model import Chromatogram, Measurement, SignalType, UnitDefinition +from chromatopy.readers.abstractreader import AbstractReader +from chromatopy.units import ul + + +class AgilentTXTReader(AbstractReader): + def __init__( + self, + dirpath: str, + reaction_times: list[float], + time_unit: UnitDefinition, + ph: float, + temperature: float, + temperature_unit: UnitDefinition, + ): + super().__init__( + dirpath, + reaction_times, + time_unit, + ph, + temperature, + temperature_unit, + ) + self.file_paths = self._get_file_paths() + + def read(self) -> list[Measurement]: + """Reads chromatographic data from the specified files. + + Returns: + list[Measurement]: A list of Measurement objects representing the chromatographic data. + """ + assert len(self.file_paths) == len(self.reaction_times), f""" + The number of reaction times {len(self.reaction_times)} does not match the number of + 'Report.TXT' files {len(self.file_paths)}. + """ + measurements = [] + for file, reaction_time in zip(self.file_paths, self.reaction_times): + file_content = self._read_file(file) + measurement = self._parse_measurement( + file_content, reaction_time, self.time_unit + ) + measurements.append(measurement) + + return measurements + + def _get_file_paths(self) -> list[str]: + """Collects the file paths of the Agilent TXT files.""" + directory = Path(self.dirpath) + if directory.is_dir(): + file_paths = [str(p) for p in directory.rglob("Report.TXT")] + else: + file_paths = [self.dirpath] + + try: + assert file_paths, f"No 'Report.TXT' files found in '{self.dirpath}'." + except AssertionError: + raise FileNotFoundError(f"No 'Report.TXT' files found in '{self.dirpath}'.") + + return file_paths + + def _read_file(self, path: str) -> list[str]: + """Reads the content of a file with different encodings.""" + try: + with open(path, encoding="utf-16") as file: + return [line.strip() for line in file.readlines()] + except UnicodeError: + pass + + try: + with open(path, encoding="utf-8") as file: + return [line.strip() for line in file.readlines()] + except UnicodeError: + raise UnicodeError( + f"Failed to read the file '{path}' with available encodings." + ) + + def _parse_measurement( + self, file_content: list[str], reaction_time: float, time_unit: UnitDefinition + ) -> Measurement: + """Parses the file content into a Measurement object.""" + measurement = Measurement( + id=file_content[0], reaction_time=reaction_time, time_unit=time_unit + ) + signal_slices = self._identify_signal_slices(file_content) + + for line in file_content: + self._extract_injection_volume(line, measurement) + + for signal_slice in signal_slices: + signal = self._parse_signal(file_content[signal_slice]) + measurement.chromatograms.append(signal) + + return measurement + + def _identify_signal_slices(self, file_content: list[str]) -> list[slice]: + """Identifies the slices that contain signal blocks.""" + signal_slices = [] + signal_start = None + + for line_count, line in enumerate(file_content): + if ( + re.search(r"\bSignal\b \d+:", line) + and file_content[line_count + 1] == "" + ): + signal_start = line_count + if line.startswith("Totals :") and signal_start is not None: + signal_end = line_count + signal_slices.append(slice(signal_start, signal_end)) + signal_start = None + + return signal_slices + + def _extract_injection_volume(self, line: str, measurement: Measurement): + """Extracts the injection volume from a line of text.""" + match = re.search(r"(\d+\s+(µ?[a-zA-Z]?l))", line) + if match: + injection_volume, _ = match[0].split() + measurement.injection_volume = float(injection_volume) + measurement.injection_volume_unit = ul + + def _parse_signal(self, signal_content: list[str]) -> Chromatogram: + """Parses a signal block into a Chromatogram object.""" + signal = Chromatogram() + + for line in signal_content: + if line.startswith("Signal"): + signal_type = re.search(r"\bSignal\b \d+: (\w+)", line).group(1) + signal.type = SignalType.FID + elif line.startswith(" # "): + peak_units = self._extract_peak_units(line) + elif re.match(r"^\s*\d+", line): + peak_values = self._extract_peak(line) + signal.add_to_peaks(**peak_values) + + return signal + + def _extract_peak(self, line: str) -> dict: + """Extracts peak information from a line of text.""" + + columns = line.split() + + if len(columns) == 8: + # Combine the 2nd and 3rd columns for the 'type' field + peak_type = f"{columns[2]} {columns[3]}" + return { + "id": int(columns[0]), + "retention_time": float(columns[1]), + "type": peak_type, + "width": float(columns[4]), + "area": float(columns[5]), + "height": float(columns[6]), + "area_percent": float(columns[7]), + } + else: + return { + "id": int(columns[0]), + "retention_time": float(columns[1]), + "type": columns[2], + "width": float(columns[3]), + "area": float(columns[4]), + "height": float(columns[5]), + "area_percent": float(columns[6]), + } + + def _extract_peak_units(self, line: str) -> dict: + """Extracts the units of the peak data.""" + unit_slice_dict = { + "retention_time_unit": slice(5, 12), + "width_unit": slice(18, 25), + "area_unit": slice(26, 36), + "height_unit": slice(37, 47), + } + + return { + key: line[unit_slice].strip("[]") + for key, unit_slice in unit_slice_dict.items() + } + + +if __name__ == "__main__": + dir_path = "/Users/max/Documents/training_course/hao" + from chromatopy.units import C, min + + reaction_times = [0.0] * 49 + reader = AgilentTXTReader(dir_path, reaction_times, min, 7.0, 25.0, C) + measurements = reader.read() + for measurement in measurements: + print(measurement) diff --git a/chromatopy/readers/chemstation.py b/chromatopy/readers/chemstation.py deleted file mode 100644 index 47d6e02..0000000 --- a/chromatopy/readers/chemstation.py +++ /dev/null @@ -1,154 +0,0 @@ -import re -from datetime import datetime -from pathlib import Path - -from chromatopy.readers.abstractreader import AbstractReader - - -class ChemstationReader(AbstractReader): - def _paths(self): - if self._is_directory: - return [p for p in Path(self.path).rglob("Report.TXT")] - else: - return [self.path] - - def read(self): - paths = [self.read_file(f) for f in self._paths()] - - measurements = [] - for path in self._paths(): - file = self.read_file(path) - - measurements.append(self.parse_measurement(file)) - - return measurements - - def read_file(self, path: str) -> str: - try: - with open(path, encoding="utf-16") as f: - return f.readlines() - except UnicodeError: - pass - - try: - with open(path) as f: - lines = f.readlines() - return [line.strip() for line in lines] - except UnicodeError: - raise UnicodeError() - - def parse_measurement(self, file: str): - from chromatopy.core import Chromatogram, Measurement, SignalType - - INJ_VOLUME = re.compile(r"(\d+\s+(µ?[a-zA-Z]?l))") - TIMESTAMP = re.compile( - r"\d{1,2}\/\d{1,2}\/\d{2,4} \d{1,2}:\d{2}:\d{2} (?:AM|PM)" - ) - SIGNAL = re.compile(r"\bSignal\b \d+:") - PEAK = re.compile(r"^ +\d+") - - measurement = Measurement() - - signal_slices = [] - for line_count, line in enumerate(file): - if INJ_VOLUME.search(line): - injection_volume, volume_unit = INJ_VOLUME.search(line)[0].split() - measurement.injection_volume = float(injection_volume) - measurement.injection_volume_unit = volume_unit - - if line.startswith("Injection Date"): - date_str = TIMESTAMP.search(line)[0] - timestamp = datetime.strptime(date_str, "%m/%d/%Y %I:%M:%S %p") - measurement.timestamp = timestamp - - # Identify slices which describe signal blocks - if SIGNAL.search(line) and file[line_count + 1] == "\n": - signal_start = line_count - if line.startswith("Totals :"): - signal_end = line_count - signal_slices.append(slice(signal_start, signal_end)) - - # Parse peak data for each signal type - for signal_slice in signal_slices: - signal = Chromatogram() - - for line in file[signal_slice]: - if line.startswith("Signal"): - signal_type = line.split(":")[1].split()[0] - signal_type = re.findall("[A-Za-z]+", signal_type)[0] - signal.type = SignalType[signal_type] - continue - - if line.startswith(" # "): - peak_units = self._get_peak_units(line) - continue - - if PEAK.search(line): - peak_values = self._get_peak(line) - - signal.add_to_peaks(**(peak_values | peak_units)) - - measurement.chromatograms.append(signal) - - return measurement - - def _get_peak(self, line: str) -> dict: - attr_slice_dict = { - "id": (slice(0, 4), str), - "retention_time": (slice(5, 12), float), - "type": (slice(13, 17), str), - "width": (slice(18, 25), float), - "area": (slice(26, 36), float), - "height": (slice(37, 47), float), - "percent_area": (slice(48, 56), float), - } - - peak = {} - for key, (attr_slice, attr_type) in attr_slice_dict.items(): - peak[key] = attr_type(line[attr_slice].strip()) - - return peak - - def _get_peak_units(self, line: str) -> dict: - unit_slice_dict = { - "retention_time_unit": slice(5, 12), - "width_unit": slice(18, 25), - "area_unit": slice(26, 36), - "height_unit": slice(37, 47), - } - - units = {} - for key, unit_slice in unit_slice_dict.items(): - units[key] = line[unit_slice].strip().strip("[]") - - return units - - def parse_method(self, file: str): - SECTION_START = re.compile(r"^(?![\d\s])[\dA-Z\s]+$") - - section_slices = [] - section_started = False - for line_id, line in enumerate(file): - if SECTION_START.search(line): - section_started = True - section_start = line_id - if line == "" and section_started: - secion_end = line_id - section_slices.append(slice(section_start, secion_end)) - section_started = False - - return section_slices - - def extract_peaks(self): - raise NotImplementedError() - - def extract_signal(self): - raise NotImplementedError() - - -if __name__ == "__main__": - dir_path = "/Users/max/Documents/training_course/hao" - cs = ChemstationReader(dir_path) - paths = cs._paths() - res = cs.parse_measurement(paths[0]) - print(res) diff --git a/chromatopy/readers/chromeleon.py b/chromatopy/readers/chromeleon.py index b90f1bf..2341eb1 100644 --- a/chromatopy/readers/chromeleon.py +++ b/chromatopy/readers/chromeleon.py @@ -1,91 +1,164 @@ import re +from pathlib import Path import pandas as pd -from chromatopy.model import Chromatogram, Measurement +from chromatopy.model import Chromatogram, Measurement, UnitDefinition +from chromatopy.readers.abstractreader import AbstractReader from chromatopy.units import h, min, ul -def read_chromeleon_file(file_path: str): - with open(file_path, "r", encoding="ISO-8859-1") as file: - content = file.read() +class ChromeleonReader(AbstractReader): + def __init__( + self, + dirpath: str, + reaction_times: list[float], + time_unit: UnitDefinition, + ph: float, + temperature: float, + temperature_unit: UnitDefinition, + ): + super().__init__( + dirpath, + reaction_times, + time_unit, + ph, + temperature, + temperature_unit, + ) + self._get_file_paths() + + def read(self) -> list[Measurement]: + """Reads the chromatographic data from the specified files. + + Returns: + list[Measurement]: A list of Measurement objects representing the chromatographic data. + """ + + measurements = [] + for file, reaction_time in zip(self.file_paths, self.reaction_times): + content = self._read_chromeleon_file(file) + measurement = self._map_measurement(content, reaction_time, self.time_unit) + measurements.append(measurement) + + return measurements + + def _read_chromeleon_file(self, file_path: str) -> dict: + """Reads and processes the content of a Chromeleon file.""" + + with open(file_path, "r", encoding="ISO-8859-1") as file: + content = file.read() - content = content.split("\n\n") - content = [section.lstrip() for section in content if len(section) > 0] + content = content.split("\n\n") + content = [section.lstrip() for section in content if len(section) > 0] - content_dict = {} - for section in content[1:]: - section = section.split("\n") - section_name = section[0][:-1] - section_content = [line.split("\t") for line in section[1:]] - for line_id, line in enumerate(section_content): - section_content[line_id] = [value for value in line if value] + content_dict = {} + for section in content[1:]: + section = section.split("\n") + section_name = section[0][:-1] + section_content = [line.split("\t") for line in section[1:]] + for line_id, line in enumerate(section_content): + section_content[line_id] = [value for value in line if value] - content_dict[section_name] = section_content + content_dict[section_name] = section_content - content_dict["Raw Data"] = transpose_data(content_dict["Raw Data"]) + content_dict["Raw Data"] = self._transpose_data(content_dict["Raw Data"]) - measurement = map_measurement(content_dict, file_path) + return content_dict - return measurement + def _map_measurement( + self, content: dict, reaction_time: float, time_unit: UnitDefinition + ) -> Measurement: + """Maps the parsed content to a Measurement object.""" + chromatogram = Chromatogram( + wavelength=int(content["Signal Parameter Information"][1][1].split(" ")[0]), + times=content["Raw Data"]["time"], + signals=content["Raw Data"]["value"], + ) -def map_measurement(content: dict, file_name: str) -> Measurement: - chromatogram = Chromatogram( - id=file_name, - wavelength=int(content["Signal Parameter Information"][1][1].split(" ")[0]), - times=content["Raw Data"]["time"], - signals=content["Raw Data"]["value"], - time_unit=min, - ) + # reaction_time, unit = self._extract_reaction_time(file_name) - reaction_time, unit = extract_reaction_time(file_name) - - return Measurement( - id=content["Sample Information"][2][1], - chromatograms=[chromatogram], - injection_volume=float(content["Sample Information"][13][1].replace(",", ".")), - injection_volume_unit=ul, - signal_parameter_information=content["Signal Parameter Information"], - dilution_factor=float(content["Sample Information"][14][1].replace(",", ".")), - reaction_time=reaction_time, - time_unit=unit, - ) + return Measurement( + id=content["Sample Information"][2][1], + chromatograms=[chromatogram], + injection_volume=float( + content["Sample Information"][13][1].replace(",", ".") + ), + injection_volume_unit=ul, + dilution_factor=float( + content["Sample Information"][14][1].replace(",", ".") + ), + reaction_time=reaction_time, + time_unit=time_unit, + ) + + def _extract_reaction_time(self, file_name: str) -> tuple[float, UnitDefinition]: + """Extracts reaction time and unit from the file name.""" + + pattern = r"\b(\d+(?:\.\d+)?)\s*(h|min)\b" + matches = re.findall(pattern, file_name) + + if len(matches) == 0: + return None, None + reaction_time, unit_str = matches[0] -def extract_reaction_time(file_name: str) -> tuple[float, str]: - pattern = r"\b(\d+(?:\.\d+)?)\s*(h|min)\b" + if unit_str == "h": + unit = h + elif unit_str == "min": + unit = min + else: + raise ValueError(f"Unit '{unit_str}' not recognized") + + return float(reaction_time), unit - matches = re.findall(pattern, file_name) + def _transpose_data(self, data: list) -> pd.DataFrame: + """Transposes the raw data from the file into a DataFrame.""" - if len(matches) == 0: - return None, None + df = pd.DataFrame(data[1:], columns=["time", "step", "value"]) - reaction_time, unit_str = matches[0] + df["time"] = df["time"].str.replace(",", ".").astype(float) + df["step"] = df["step"].str.replace(",", ".").astype(float) + df["value"] = df["value"].str.replace(",", ".").astype(float) - if unit_str == "h": - unit = h - elif unit_str == "min": - unit = min - else: - raise ValueError(f"Unit '{unit_str}' not recognized") + return df - return reaction_time, unit + def _get_file_paths(self): + """Collects the file paths from the directory.""" + files = [] + directory = Path(self.dirpath) -def transpose_data(data: list) -> pd.DataFrame: - data = data - df = pd.DataFrame(data[1:], columns=["time", "step", "value"]) + # check if directory exists + assert directory.exists(), f"Directory '{self.dirpath}' does not exist." + assert directory.is_dir(), f"'{self.dirpath}' is not a directory." + assert any( + directory.rglob("*.txt") + ), f"No .txt files found in '{self.dirpath}'." - df["time"] = df["time"].str.replace(",", ".").astype(float) - df["step"] = df["step"].str.replace(",", ".").astype(float) - df["value"] = df["value"].str.replace(",", ".").astype(float) + for file_path in directory.rglob("*.txt"): + if file_path.name.startswith("."): + continue - return df + files.append(str(file_path.absolute())) + assert ( + len(files) == len(self.reaction_times) + ), f"Number of files ({len(files)}) does not match the number of reaction times ({len(self.reaction_times)})." -# if __name__ == "__main__": -# dir_path = "/Users/max/Documents/jan-niklas/MjNK/Standards" -# file_path = "/Users/max/Documents/jan-niklas/MjNK/adenosine_std/Adenosine Stadards_ 0.5 mM.txt" + self.file_paths = files + + +if __name__ == "__main__": + from chromatopy.units.predefined import min + + dir_path = "/Users/max/Documents/jan-niklas/MjNK/adenosine_std" + reaction_times = [0, 1, 2, 3, 4, 5.0] + + reader = ChromeleonReader( + dir_path, reaction_times, min, ph=7.4, temperature=25.0, temperature_unit=min + ) + measurements = reader.read() -# content = read_chromeleon_file(file_path) + print(measurements) diff --git a/chromatopy/readers/chromreader.py b/chromatopy/readers/chromreader.py deleted file mode 100644 index 5259f86..0000000 --- a/chromatopy/readers/chromreader.py +++ /dev/null @@ -1,62 +0,0 @@ -from pathlib import Path -from typing import List - -from chromatopy.readers.factory import ChromReaderFactory - -from ..core import Measurement - - -class ChromReader: - @staticmethod - def read(posix_path: str) -> List[Measurement]: - """Reads the chromatographic data from the specified file or directory. - - Args: - path (str): The path to the file or directory containing the chromatographic data. - - Raises: - FileNotFoundError: If the specified file or directory does not exist. - - Returns: - List[Measurement]: A list of Measurement objects representing the chromatographic data. - """ - posix_path = Path(posix_path) - - if posix_path.is_dir(): - return ChromReader.read_directory(posix_path) - elif posix_path.is_file(): - return [ChromReader.read_file(posix_path)] - else: - raise FileNotFoundError(f"Could not find file or directory: {posix_path}") - - @staticmethod - def read_file(file_path: str) -> Measurement: - """Reads the chromatographic data from the specified file. - - Args: - file_path (str): Path to the file containing the chromatographic data. - - Returns: - Measurement: A Measurement object representing the chromatographic data. - """ - return ChromReaderFactory.create_reader(file_path).read() - - @staticmethod - def read_directory(dir_path: Path) -> List[Measurement]: - """Reads the chromatographic data from the specified directory. - - Args: - dir_path (str): Path to the directory containing the chromatographic data. - - Returns: - List[Measurement]: A list of Measurement objects representing the chromatographic data. - """ - if dir_path.is_file(): - print(dir_path) - return [ChromReaderFactory.create_reader(dir_path).read()] - elif dir_path.is_dir(): - return [ - ChromReaderFactory.create_reader(file_path).read() - for file_path in sorted(dir_path.iterdir()) - if file_path.suffix == ".txt" - ] diff --git a/chromatopy/readers/csvreader.py b/chromatopy/readers/csvreader.py deleted file mode 100644 index 8b13789..0000000 --- a/chromatopy/readers/csvreader.py +++ /dev/null @@ -1 +0,0 @@ - diff --git a/chromatopy/readers/factory.py b/chromatopy/readers/factory.py deleted file mode 100644 index f4d292a..0000000 --- a/chromatopy/readers/factory.py +++ /dev/null @@ -1,60 +0,0 @@ -import pandas as pd - -from .abstractreader import AbstractReader - - -class ChromReaderFactory: - @staticmethod - def create_reader(path: str) -> AbstractReader: - """Creates a reader object based on the signature of the file. - - Args: - path (str): The path to the file. - - Raises: - ValueError: If the signature of the file is not matched to - any supported format. - - Returns: - AbstractReader: A reader object for the specified file. - """ - if ChromReaderFactory.get_file_signature(path) == "shimadzu": - from .shimadzu import ShimadzuReader - - return ShimadzuReader(path) - - elif ChromReaderFactory.get_file_signature(path) == "csv": - from .csvreader import CSVReader - - return CSVReader(path) - else: - raise ValueError(f"Unsupported file format: {path}") - - @staticmethod - def get_file_signature(path: str) -> str: - """Returns the signature of the file based on the first few lines. - - Args: - path (str): The path to the file. - - Returns: - str: The signature of the file. - - """ - signatures = {"shimadzu": "[Header]"} - - try: - with open(path, "r") as file: - lines = [file.readline() for _ in range(5)] - - for key, signature in signatures.items(): - if any(signature in line for line in lines): - return key - except UnicodeDecodeError: - pass - - try: - df = pd.read_csv(path) - return "csv" - except pd.errors.ParserError: - return "unsupported" diff --git a/chromatopy/readers/shimadzu.py b/chromatopy/readers/shimadzu.py index b9a77f0..4dec905 100644 --- a/chromatopy/readers/shimadzu.py +++ b/chromatopy/readers/shimadzu.py @@ -173,21 +173,24 @@ def get_section_dict(self, section: str, nrows: int | None = None) -> dict: return meta_table except pd.errors.ParserError: - pattern = r"(\b\d+),(\d+\b)" - section = re.sub(pattern, r"\1.\2", section) - - meta_table = ( - pd.read_table( - StringIO(section), - nrows=nrows, - header=None, - sep=",", + try: + pattern = r"(\b\d+),(\d+\b)" + section = re.sub(pattern, r"\1.\2", section) + + meta_table = ( + pd.read_table( + StringIO(section), + nrows=nrows, + header=None, + sep=",", + ) + .set_index(0)[1] + .to_dict() ) - .set_index(0)[1] - .to_dict() - ) - return meta_table + return meta_table + except pd.errors.ParserError: + return preprocess_to_dict(section) def preprocess_decimal_delimiters(self, data_str): pattern = r"(\d),(\d{3}\b)" @@ -241,7 +244,9 @@ def _get_available_detectors(self, sections: Dict[str, str]) -> None: configuration = sections.get("Configuration") assert configuration, "No configuration section found." - detector_info = self.get_section_dict(configuration) + detector_info = self.get_section_dict( + configuration, + ) assert detector_info, "No detector information found." detector_id = detector_info.get("Detector ID") @@ -272,15 +277,49 @@ def _get_file_paths(self): self.file_paths = files +def preprocess_to_dict(input_string: str) -> dict: + # Initialize the result dictionary + result = {} + + # Split the input string into lines + lines = input_string.strip().split("\n") + + for line in lines: + # Split the line by the first comma + parts = line.split(",", 1) # Split only at the first comma + + # Extract key and value, stripping any leading/trailing whitespace + key = parts[0].strip() + value = parts[1].strip() if len(parts) > 1 else None + + # Try to convert the value to a number if possible + try: + value = float(value) if "." in value else int(value) + except (ValueError, TypeError): + pass # If conversion fails, keep the value as a string + + # Add the key-value pair to the dictionary + result[key] = value + + return result + + if __name__ == "__main__": from devtools import pprint - from chromatopy.units.predefined import min + from chromatopy.units.predefined import C, min - dirpath = "/Users/max/Documents/GitHub/shimadzu-example/data/kinetic/substrate_10mM_co-substrate3.12mM" + dirpath = "example_data/shimadzu" - reaction_time = [0, 1, 2, 3, 4, 5.0] - reader = ShimadzuReader(dirpath, reaction_time, min) + reaction_time = [0, 1, 2, 3, 4, 5.0, 6, 7, 8] + reader = ShimadzuReader( + dirpath=dirpath, + reaction_times=reaction_time, + time_unit=min, + ph=7.4, + temperature=25.0, + temperature_unit=C, + ) paths = reader.read() - pprint(len(paths)) + pprint(paths[0].chromatograms[0].peaks[0].__dict__) diff --git a/chromatopy/tools/analyzer.py b/chromatopy/tools/analyzer.py index 8c159db..792ae21 100644 --- a/chromatopy/tools/analyzer.py +++ b/chromatopy/tools/analyzer.py @@ -1,5 +1,3 @@ -import glob -import os import warnings from collections import defaultdict @@ -246,6 +244,42 @@ def read_agilent_csv( return cls(id=id, measurements=measurements) + @classmethod + def read_agilent( + cls, + path: str, + reaction_times: list[float], + time_unit: UnitDefinition, + ph: float, + temperature: float, + temperature_unit: UnitDefinition = C, + ): + from chromatopy.readers.agilent_csv import ( + assamble_measurements_from_agilent_csv, + ) + from chromatopy.readers.agilent_txt import AgilentTXTReader + + try: + measurements = AgilentTXTReader( + dirpath=path, + reaction_times=reaction_times, + time_unit=time_unit, + ph=ph, + temperature=temperature, + temperature_unit=temperature_unit, + ).read() + except FileNotFoundError: + measurements = assamble_measurements_from_agilent_csv( + path=path, + reaction_times=reaction_times, + time_unit=time_unit, + ph=ph, + temperature=temperature, + temperature_unit=temperature_unit, + ) + + return cls(id=path, measurements=measurements) + def create_enzymeml( self, name: str, @@ -334,15 +368,27 @@ def add_to_enzymeml( # return cls(id=experiment_id, measurements=[measurement]) @classmethod - def read_chromeleon(cls, dir_path: str): - from chromatopy.readers.chromeleon import read_chromeleon_file - - txt_files = glob.glob(os.path.join(dir_path, "*.txt")) - txt_files.sort() + def read_chromeleon( + cls, + path: str, + reaction_times: list[float], + time_unit: UnitDefinition, + ph: float, + temperature: float, + temperature_unit: UnitDefinition = C, + ): + from chromatopy.readers.chromeleon import ChromeleonReader - measurements = [read_chromeleon_file(file) for file in txt_files] + measurements = ChromeleonReader( + dirpath=path, + reaction_times=reaction_times, + time_unit=time_unit, + ph=ph, + temperature=temperature, + temperature_unit=temperature_unit, + ).read() - return cls(id=dir_path, measurements=measurements) + return cls(id=path, measurements=measurements) def find_peaks(self, **fitting_kwargs): print( diff --git a/docs/index.md b/docs/index.md index 52f7ad6..2790662 100644 --- a/docs/index.md +++ b/docs/index.md @@ -1,6 +1,6 @@ -# Welcome to the Documentation on `chromatopy` +# chromatopy -## Python tool to replace data management and processing of chromatographic data +## Tool to process chromatographic time-course data **Read data from output files of analytical devices** diff --git a/docs/supported_formats.md b/docs/supported_formats.md new file mode 100644 index 0000000..877d6a2 --- /dev/null +++ b/docs/supported_formats.md @@ -0,0 +1,318 @@ +# Data prerequisites + +## Data organization + +chromatopy strives to simplify the data import and processing of chomatographic time-course data. Therefore, the data should be organized in the following way to be compatible with the tool: + +__Time-course data__ + +- All data files of a time-course series should be stored within a single folder. +- For Agilent `*.D` directories, these should be stored within a single folder. + +__Calibration data__ + +- The set of calibration data files should be stored within a single folder. +- For Agilent `*.D` directories, these should be stored within a single folder. + +!!! warning + The files within a folder should be named in a way that allows alphabetical sorting to represent the chronological or logical order of the data. E.g. naming time-course data by reaction time or calibration data by concentration. + +## Supported data formats + +### Agilent + +Due to differing contents within the `*.D` directories of Agilent output files, only agilent system which produce `REPORT.TXT` or `result.csv` files are supported. The mentioned files should be similar to the following example: + +??? example "Example File" + + === "REPORT.TXT" + + ``` + Data File C:\CHEM32\1\DATA\H 2023-07-24 21-36-55\001F0104.D + Sample Name: DFA-708-01 + Instrument 1 7/24/2023 10:34:06 PM Group + + ===================================================================== + Acq. Operator : Group Seq. Line : 1 + Acq. Instrument : Instrument 1 Location : Vial 1 + Injection Date : 7/24/2023 10:22:05 PM Inj : 4 + Inj Volume : 1000 µl + Sequence File : C:\Chem32\1\DATA\07-24 21-36-55\H.S + Method : C:\CHEM32\1\DATA\07-24 21-36-55\H.M ( + Sequence Method) + Last changed : 7/24/2023 4:35:09 PM + ===================================================================== + Area Percent Report + ===================================================================== + + Sorted By : Signal + Multiplier : 1.0000 + Dilution : 1.0000 + Use Multiplier & Dilution Factor with ISTDs + + + Signal 1: FID1 A, + + Peak RetTime Type Width Area Height Area + # [min] [min] [pA*s] [pA] % + ----|-------|----|-------|----------|----------|--------| + 1 2.828 BB 0.0857 1.95364e4 3417.83057 99.52651 + 2 4.059 BB 0.0745 92.94276 18.85831 0.47349 + Totals : 1.96294e4 3436.68888 + + + Signal 2: TCD2 B, + + Peak RetTime Type Width Area Height Area + # [min] [min] [25 uV*s] [25 uV] % + ----|-------|----|-------|----------|----------|--------| + 1 2.832 BB 0.0841 1090.67725 195.31581 1.000e2 + Totals : 1090.67725 195.31581 + + ===================================================================== + Summed Peaks Report + ===================================================================== + + Signal 1: FID1 A, + Signal 2: TCD2 B, + ===================================================================== + Final Summed Peaks Report + ===================================================================== + + Signal 1: FID1 A, + Signal 2: TCD2 B, + *** End of Report *** + ``` + + === "RESULTS.CSV" + + ``` + [contents] + count=1 + Name=,D:\MassHunter\GCMS\RAU-R505-0.D + 1=,INT TIC: RAU-R505-0.D\data.ms + [INT TIC: RAU-R505-0.D\data.ms] + Time=,Thu Jun 06 17:25:48 2024 + Header=,"Peak","R.T.","First","Max","Last","PK TY","Height","Area","Pct Max","Pct Total" + 1=, 1, 6.056, 856, 860, 880," M ",1366398, 13751453,100.00, 63.328 + 2=, 2, 6.302, 899, 903, 909," M ",1063632, 7963360, 57.91, 36.672 + ``` + +!!! note + Due to the proprietary nature of the Agilent format, only the already integrated peaks data from initial analysis is supported. Currently, spectrum data cannot be accessed by chromatopy. + +### Shimadzu + +Shimadzu offers the possibility to export data in a `*.txt` format. This format is supported by chromatopy. + +??? example "Example File" + + ``` + [Header] + Application Name,LCsolution + Version,1.25 + Data File Name,C:\LabSolutions\0.lcd + Output Date,12.12.2023. + Output Time,11:18:30 + + [File Information] + Type,Data File + Generated,21.2.2012. 13:16:32 + Generated by,Admin + Modified,21.2.2012. 13:33:38 + Modified by,Admin + + [Sample Information] + Operator Name,Admin + Acquired,21.2.2012. 13:16:57 + Sample Type,0:Unknown + Level,0 + Sample Name,0 + Sample ID, + ISTD Amount 1,1 + ISTD Amount 2,1 + ISTD Amount 3,1 + ISTD Amount 4,1 + ISTD Amount 5,1 + ISTD Amount 6,1 + ISTD Amount 7,1 + ISTD Amount 8,1 + ISTD Amount 9,1 + ISTD Amount 10,1 + ISTD Amount 11,1 + ISTD Amount 12,1 + ISTD Amount 13,1 + ISTD Amount 14,1 + ISTD Amount 15,1 + ISTD Amount 16,1 + ISTD Amount 17,1 + ISTD Amount 18,1 + ISTD Amount 19,1 + ISTD Amount 20,1 + ISTD Amount 21,1 + ISTD Amount 22,1 + ISTD Amount 23,1 + ISTD Amount 24,1 + ISTD Amount 25,1 + ISTD Amount 26,1 + ISTD Amount 27,1 + ISTD Amount 28,1 + ISTD Amount 29,1 + ISTD Amount 30,1 + ISTD Amount 31,1 + ISTD Amount 32,1 + Sample Amount,1 + Dilution Factor,1 + Vial#,1 + Injection Volume,20 + + [Original Files] + Data File,C:\LabSolutions + Method File,C:\LabSolutions + Batch File,C:\LabSolutions + Report Format File,C:\LabSolutions + Tuning File, + + [File Description] + + + [Configuration] + # of Detectors,2 + Detector ID,Detector A,AD2 + Detector Name,Detector A,AD2 + # of Channels,1,1 + + [Peak Table(Detector A-Ch1)] + # of Peaks,14 + Peak#,R.Time,I.Time,F.Time,Area,Height,A/H,Conc.,Mark,ID#,Name,k',Plate #,Plate Ht.,Tailing,Resolution,Sep.Factor,Conc. %,Norm Conc. + 1,0.143,0.017,0.342,1278,107,11.9230,0.0000, ,,,0.000,4,41558.735,1.160,0.000,0.000,0.0000,0.0000 + 2,2.677,2.600,2.842,7633,868,8.7930,0.0000, ,,,17.675,2267,66.156,1.540,9.621,0.000,0.0000,0.0000 + 3,3.113,2.867,3.492,74069,3235,22.8950,0.0000, ,,,20.715,284,528.740,0.000,0.904,1.172,0.0000,0.0000 + 4,3.674,3.492,4.225,62448,1896,32.9390,0.0000, V ,,,24.632,195,767.696,0.000,0.627,1.189,0.0000,0.0000 + 5,4.541,4.225,4.858,61821,2075,29.7890,0.0000, V ,,,30.681,11,13168.368,0.000,0.270,1.246,0.0000,0.0000 + 6,5.264,4.858,6.025,591150,23289,25.3830,0.0000, V ,,,35.719,1559,96.223,0.000,0.244,1.164,0.0000,0.0000 + 7,6.234,6.025,6.417,69898,3040,22.9950,0.0000, V ,,,42.488,8,18539.786,0.000,0.209,1.189,0.0000,0.0000 + 8,6.570,6.417,6.708,51229,2962,17.2940,0.0000, V ,,,44.832,6,27270.488,0.000,0.034,1.055,0.0000,0.0000 + 9,7.099,6.708,7.442,271461,9085,29.8790,0.0000, V ,,,48.524,1106,135.634,0.000,0.088,1.082,0.0000,0.0000 + 10,8.063,7.442,8.950,2838883,74297,38.2100,0.0000, V ,1,RT8.063,55.243,1156,129.804,0.000,1.069,1.138,0.0000,0.0000 + 11,9.083,8.950,10.367,458569,7811,58.7060,0.0000, V ,,,62.362,26,5780.190,0.000,0.253,1.129,0.0000,0.0000 + 12,10.392,10.367,11.067,150804,3848,39.1900,0.0000, V ,,,71.492,1,157400.235,0.000,0.053,1.146,0.0000,0.0000 + 13,11.391,11.067,12.442,273652,3881,70.5040,0.0000, V ,,,78.463,96,1566.775,0.000,0.042,1.098,0.0000,0.0000 + 14,12.567,12.442,14.967,184099,2616,70.3870,0.0000, V ,,,86.664,13,11724.488,0.000,0.126,1.105,0.0000,0.0000 + + [Peak Table(AD2)] + # of Peaks,0 + + [Peak Table(PDA-Ch1)] + # of Peaks,0 + + [Compound Results(Detector A)] + # of IDs,1 + ID#,Name,R.Time,Area,Height,Conc.,Curve,3rd,2nd,1st,Constant,Conc. %,Norm Conc. + 1,RT8.063,8.063,2838883,74297,0.0000,Linear,0.0,0.0,0.0,0.0,0.0000,0.0000 + + [Compound Results(AD2)] + # of IDs,0 + + [Compound Results(PDA)] + # of IDs,0 + + [Group Results(Detector A)] + # of Groups,0 + + [Group Results(AD2)] + # of Groups,0 + + [Group Results(PDA)] + # of Groups,0 + + [LC Chromatogram(Detector A-Ch1)] + Interval(msec),500 + # of Points,1801 + Start Time(min),0.000 + End Time(min),15.000 + Intensity Units,mV + Intensity Multiplier,0.001 + Wavelength(nm),215 + R.Time (min),Intensity + 0.00000,-132 + 0.00833,-132 + 0.01667,-52 + 0.02500,3 + 0.03333,8 + ... + ``` + + +### Thermo Fisher Scientific + +Chromeleon offers the possibility to export data in a `*.txt` format. This format is supported by chromatopy. + +??? example "Example File" + + ``` + Filepath C:Â¥ChromelÂ¥dataÂ¥HPLCÂ¥2_DataÂ¥UV_VIS_1.CHLÂ¥20.acd + Channel UV_VIS_1 + + Sample Information: + Datasource BCI + Sequence HPLCÂ¥2_Data + Sample A 1,0 mM + Sample Number 31 + Sample Position RD3 + Sample ID 20 + Comment + QNT method 20211221 + PGM file 20230109 + Type standard + Status finished + Date 02.02.2023 + Time 16:12:23 + Injection Volume (ï½µl) 10,00 + Dilution Factor 1,000000 + Amount 1,000000 + Weight 1,000000 + + Raw Data Header Information: + Time Min. (min) 0,000 + Time Max. (min) 44,000 + Raw-Time Min. (min) 0,000 + Raw-Time Max. (min) 44,000 + Data Points 26401 + Detector VWD3000.dll + Preferred Read Mode Unknown + Write Mode Unknown + Data System Chromeleon + Version High 06 + Version Low 80 + Build No. 3160 + File Format Version 11 + Generation Type 8 + File ID 239054205 + File Status 16 + GUID 8ce9b975 + Signal Factor 0,000010 + Signal Dimension mAU + Signal Unit Absorbance + Signal Min. -2,8254 + Signal Max. 576,766300 + Channel Name UV_VIS_1 + Driver Name VWD-3x00(RS) Detector + Min. Step 10 + Max. Step 10 + Average Step 10 + + Signal Parameter Information: + Signal Info WVL:254 nm + Wavelength 254 nm + + Raw Data: + Time(min) Step(sec) Value(mAU) + 0,000000 0,00 0,125090 + 0,001667 0,10 0,125010 + 0,003333 0,10 0,124540 + 0,005000 0,10 0,124710 + 0,006667 0,10 0,123320 + 0,008333 0,10 0,123160 + ... + ``` \ No newline at end of file diff --git a/examples/chemstation-example/read_chemstation.ipynb b/examples/chemstation-example/read_chemstation.ipynb index bbd535a..329960e 100644 --- a/examples/chemstation-example/read_chemstation.ipynb +++ b/examples/chemstation-example/read_chemstation.ipynb @@ -4392,7 +4392,7 @@ "name": "python", "nbconvert_exporter": "python", "pygments_lexer": "ipython3", - "version": "3.12.2" + "version": "3.12.4" } }, "nbformat": 4, diff --git a/examples/shimadzu-example/read_shimadzu.ipynb b/examples/shimadzu-example/read_shimadzu.ipynb index 31ffd6e..83b6376 100644 --- a/examples/shimadzu-example/read_shimadzu.ipynb +++ b/examples/shimadzu-example/read_shimadzu.ipynb @@ -33516,7 +33516,7 @@ "name": "python", "nbconvert_exporter": "python", "pygments_lexer": "ipython3", - "version": "3.12.2" + "version": "3.12.4" } }, "nbformat": 4, diff --git a/mkdocs.yml b/mkdocs.yml index 33a49db..fb82d18 100644 --- a/mkdocs.yml +++ b/mkdocs.yml @@ -7,6 +7,7 @@ site_author: Max Häußler nav: - Home: index.md + - Supported Formats: supported_formats.md - Getting Started: - Reading in data: getting_started/read_in.md - Calculation of concentrations: getting_started/calibrator.md diff --git a/tests/test_readers/data/agilent_csv/.DS_Store b/tests/test_readers/data/agilent_csv/.DS_Store new file mode 100644 index 0000000..c927e2f Binary files /dev/null and b/tests/test_readers/data/agilent_csv/.DS_Store differ diff --git a/tests/test_readers/data/agilent_csv/RAU-R505-00.D/AcqData-CumulativeAuditTrail.xml b/tests/test_readers/data/agilent_csv/RAU-R505-00.D/AcqData-CumulativeAuditTrail.xml new file mode 100644 index 0000000..efb4910 --- /dev/null +++ b/tests/test_readers/data/agilent_csv/RAU-R505-00.D/AcqData-CumulativeAuditTrail.xml @@ -0,0 +1,17 @@ + + + + 0 + WS-CZC83174R0 + system + 2024-06-06T14:30:28.8517226+02:00 + Data collection has been initiated. + + + 1 + WS-CZC83174R0 + system + 2024-06-06T14:44:31.9509495+02:00 + Data has been collected and saved. + + \ No newline at end of file diff --git a/tests/test_readers/data/agilent_csv/RAU-R505-00.D/AcqData/Contents.xml b/tests/test_readers/data/agilent_csv/RAU-R505-00.D/AcqData/Contents.xml new file mode 100644 index 0000000..f79a84a --- /dev/null +++ b/tests/test_readers/data/agilent_csv/RAU-R505-00.D/AcqData/Contents.xml @@ -0,0 +1,17 @@ + + + 3 + + + 2024-06-06T14:31:49.7234326+02:00 + + 2 + 5977B MSD + + 0 + + 2 + + 2 + MassHunter GC/MS Acquisition B.07.06.2704 18-Jul-2017 Copyright © 1989-2017 Agilent Technologies, Inc. + \ No newline at end of file diff --git a/tests/test_readers/data/agilent_csv/RAU-R505-00.D/AcqData/Devices.xml b/tests/test_readers/data/agilent_csv/RAU-R505-00.D/AcqData/Devices.xml new file mode 100644 index 0000000..0b92837 --- /dev/null +++ b/tests/test_readers/data/agilent_csv/RAU-R505-00.D/AcqData/Devices.xml @@ -0,0 +1,16 @@ + + + 1 + + SingleQuadrupole + 7.6.0.0 + 6.00.34 + 5977 + 1 + US1827R022 + 2 + 8 + 0 + 1 + + \ No newline at end of file diff --git a/tests/test_readers/data/agilent_csv/RAU-R505-00.D/AcqData/Janis12min,1minsolventdelay.M/acq.ms b/tests/test_readers/data/agilent_csv/RAU-R505-00.D/AcqData/Janis12min,1minsolventdelay.M/acq.ms new file mode 100644 index 0000000..2fcdc23 --- /dev/null +++ b/tests/test_readers/data/agilent_csv/RAU-R505-00.D/AcqData/Janis12min,1minsolventdelay.M/acq.ms @@ -0,0 +1,146 @@ +[Signature] +ID=00000000000000000000000000000000 + +[Version] +ID=G1701CA Version: C.00.00 + +[General] +Type=6 +Inlet=0 +Start Mode=0 +Run Duration=39000 +Solvent Delay=1 +Tune File=ATUNE.U +Group Ions=1 +Acq Mode=0 +Gauges=2 +Fast Scan=0 +TID=0 +EMSaver=0 + +[Zone 1] +ID=1 +On=1 +Soft Max=200 +Set Point=150 +Type=0 + +[Zone 2] +ID=0 +On=1 +Soft Max=250 +Set Point=230 +Type=0 + +[Zone 3] +ID=-1 +On=0 +Soft Max=0 +Set Point=0 +Type=0 + +[Ions 1] +Group Name=OFN-272-LR +Start Time=4.2 +Resolution=1 +Plot Index 1=0 +Number of Ions=1 +Ion 1=272.00,50 +Group EMV Setting=10 +Use Group EMV Setting=true +IonL1= + +[Scan 1] +Start Time=1 +Low Mass=45 +High Mass=550 +Threshold=150 +Sampling=4 +Low Plot 1= +Low Plot 2= +High Plot 1= +High Plot 2= + +[Scan 2] + +[Scan 3] + +[Filters] +Mass Type=0 +Mass Param=0 +Mass Sigma=0 +Time Type=0 +Time Param=0 +Time Sigma=0 + +[Plot] +Plot Type 1=0 +Time Plot 1=0 +Min Plot 1=0 +Max Plot 1=0 +Left Plot 1=0.000000 +Top Plot 1=0.085653 +Width Plot 1=0.520196 +Height Plot 1=0.625268 +Mode Plot 1=2 +Plot Type 2=2 +Time Plot 2=0 +Min Plot 2=0 +Max Plot 2=0 +Left Plot 2=0.198286 +Top Plot 2=0.197002 +Width Plot 2=0.499388 +Height Plot 2=0.501071 +Mode Plot 2=2 +X Gadget Pos 1=5 +Y Gadget Pos 1=230 +X Gadget Pos 2=130 +Y Gadget Pos 2=230 +Low Mass 1=1.6 +High Mass 1=1050 +Plot Label 1= +Low Mass 2=1.6 +High Mass 2=1050 +Plot Label 2= + +[Gauge1] +Type=2 +ID=1 +Display Type=0 +Left Plot=380 +Top Plot=230 +Alarm Error=100.00 +Alarm Warning=100.00 +Alarm Minimum=0.00 +Alarm Set=0 + +[Gauge2] +Type=2 +ID=0 +Display Type=0 +Left Plot=255 +Top Plot=230 +Alarm Error=100.00 +Alarm Warning=100.00 +Alarm Minimum=0.00 +Alarm Set=0 + + +[Parameters] +ID 1=7 +Mode 1=2 +Value 1=1.000000 +ID 2=-1 +Mode 2=0 +Value 2=0.000000 +[Time Events] +Number Events=0 +[SCIS] +H2FlowRate=0.13 +Emission=10 +SourceTemperature=230 +QuadrupoleTemperature=150 +Duration=1.3 +StabilizationDuration=0.166666666666667 +Filament=2 +Mode=None diff --git a/tests/test_readers/data/agilent_csv/RAU-R505-00.D/AcqData/MSPeak.bin b/tests/test_readers/data/agilent_csv/RAU-R505-00.D/AcqData/MSPeak.bin new file mode 100644 index 0000000..5f457b5 Binary files /dev/null and b/tests/test_readers/data/agilent_csv/RAU-R505-00.D/AcqData/MSPeak.bin differ diff --git a/tests/test_readers/data/agilent_csv/RAU-R505-00.D/AcqData/MSScan.bin b/tests/test_readers/data/agilent_csv/RAU-R505-00.D/AcqData/MSScan.bin new file mode 100644 index 0000000..958f4fb Binary files /dev/null and b/tests/test_readers/data/agilent_csv/RAU-R505-00.D/AcqData/MSScan.bin differ diff --git a/tests/test_readers/data/agilent_csv/RAU-R505-00.D/AcqData/MSScan.xsd b/tests/test_readers/data/agilent_csv/RAU-R505-00.D/AcqData/MSScan.xsd new file mode 100644 index 0000000..5157805 --- /dev/null +++ b/tests/test_readers/data/agilent_csv/RAU-R505-00.D/AcqData/MSScan.xsd @@ -0,0 +1,92 @@ + + + + + + + + MSScan binary file index record details + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + diff --git a/tests/test_readers/data/agilent_csv/RAU-R505-00.D/AcqData/MSTS.xml b/tests/test_readers/data/agilent_csv/RAU-R505-00.D/AcqData/MSTS.xml new file mode 100644 index 0000000..3de75d5 --- /dev/null +++ b/tests/test_readers/data/agilent_csv/RAU-R505-00.D/AcqData/MSTS.xml @@ -0,0 +1,14 @@ + + + 3 + + + 0 + + 650 + 2012 + + 0 + + 0 + \ No newline at end of file diff --git a/tests/test_readers/data/agilent_csv/RAU-R505-00.D/AcqData/sample_info.xml b/tests/test_readers/data/agilent_csv/RAU-R505-00.D/AcqData/sample_info.xml new file mode 100644 index 0000000..714ead8 --- /dev/null +++ b/tests/test_readers/data/agilent_csv/RAU-R505-00.D/AcqData/sample_info.xml @@ -0,0 +1,264 @@ + + 1.0 + + Dilution + Dilution + 1 + 8 + + + + + Inj Vol (µl) + Inj Vol (µl) + 1 + 8 + + + + + Wt/Vol + Wt/Vol + 0 + 8 + + + + + Sample ID + Sample ID + + + 8 + + + + + Sample Name + Sample Name + RAU-R505-0 + 8 + + + + + Sample Position + Sample Position + 1 + 8 + + + + + Sample Type + Sample Type + + + 8 + + + + + Data File + Data File + D:\MassHunter\GCMS\1\data\Elizabeth\B06\24.06.06\RAU-R505-0.D + 8 + + + + + Method + Method + D:\MassHunter\GCMS\1\methods\Janis12min,1minsolventdelay.M + 8 + + + + + Override DA Method + Override DA Method + + + 8 + + + + + Level Name + Level Name + + + 8 + + + + + Comment + Comment + + + 8 + + + + + Balance Override + Balance Override + + + 8 + + + + + Barcode + Barcode + + + 8 + + + + + Equilib Time (min) + Equilib Time (min) + 0 + 8 + + + + + Plate Code + Plate Code + + + 8 + + + + + Plate Position + Plate Position + + + 8 + + + + + Rack Code + Rack Code + + + 8 + + + + + Rack Position + Rack Position + + + 8 + + + + + 11997575462 + Expected Barcode + + + 8 + + + + + 2958128693 + Sample Amount + + + 8 + + + + + 3679340168 + Dual Inj Vol + 1 + 8 + + + + + 42112645181 + TuneName + ATUNE.U + 8 + + + + + 5836720187 + TunePath + D:\MassHunter\GCMS\1\5977\ + 8 + + + + + 6398828231 + TuneDateStamp + 2023-11-20T11:52:13+01:00 + 8 + + + + + 7221446402 + MSFirmwareVersion + 6.00.34 + 8 + + + + + OperatorName + OperatorName + Iris + 8 + + + + + AcqTime + AcqTime + 2024-06-06T14:31:49.7234326+02:00 + 8 + + + + + SampleLockedRunMode + SampleLockedRunMode + False + 8 + + + + + RunCompletedFlag + RunCompletedFlag + True + 8 + + + + + InstrumentName + InstrumentName + 5977B MSD + 8 + + + + \ No newline at end of file diff --git a/tests/test_readers/data/agilent_csv/RAU-R505-00.D/AcqData/sequence.xml b/tests/test_readers/data/agilent_csv/RAU-R505-00.D/AcqData/sequence.xml new file mode 100644 index 0000000..a9be2db --- /dev/null +++ b/tests/test_readers/data/agilent_csv/RAU-R505-00.D/AcqData/sequence.xml @@ -0,0 +1,57 @@ + + + 0 + 0 + Janis12min,1minsolventdelay + D:\MassHunter\GCMS\1\methods\ + + false + + + + RAU-R505-0 + D:\MassHunter\GCMS\1\data\Elizabeth\B06\24.06.06\ + 1 + false + + 1 + 0 + 0 + + 1 + 1 + 5977B MSD + SingleQuadrupole + + + + + false + + 2 + + + + RAU-R505-0 + dummy + + + Sample + + None + None + None + None + + + + + + + + + + + 1 + + \ No newline at end of file diff --git a/tests/test_readers/data/agilent_csv/RAU-R505-00.D/GC.ini b/tests/test_readers/data/agilent_csv/RAU-R505-00.D/GC.ini new file mode 100644 index 0000000..29d3be6 --- /dev/null +++ b/tests/test_readers/data/agilent_csv/RAU-R505-00.D/GC.ini @@ -0,0 +1,284 @@ +[7890 DriverItem] +gc.fw=B.02.05.1 +gc.sn=CN18333156 +gc.ready=3 +gc.status=1 +ALS.fr.present=1 +ALS.fr.syringe=10 +ALS.fr.volume=1 +ALS.bk.present=0 +ALS.bk.syringe=-1.79769313486232E+308 +ALS.bk.volume=-1.79769313486232E+308 +ALS.tray.present=1 +ALS.bcr.present=0 +gc.runlength=12.7142857142857 +gc.runtime=12.7139343667077 +gc.postrun=0 +gc.posttime=-1.79769313486232E+308 +gc.pressureunits=1 +Oven.T.state=1 +Oven.T.actual=257.6022412 +Oven.T.setpoint=30 +oven.T.ramp=30,30,4,35,300,1 +inlet.fr.T.state=1 +inlet.fr.T.actual=250.0397314 +inlet.fr.T.setpoint=250 +inlet.fr.column=1 +inlet.bk.T.state=-1.79769313486232E+308 +inlet.bk.T.actual=-1.79769313486232E+308 +inlet.bk.T.setpoint=-1.79769313486232E+308 +inlet.bk.column=-1.79769313486232E+308 +inlet.fr.gas=He +inlet.fr.p.actual=2531155 +inlet.fr.f.actual=0.3329943319 +inlet.fr.mode=SPLIT +inlet.fr.splitratio=50 +inlet.bk.gas=!HW Item is not supported +inlet.bk.p.actual=-1.79769313486232E+308 +inlet.bk.f.actual=-1.79769313486232E+308 +inlet.bk.mode=!HW Item is not supported +inlet.bk.splitratio=-1.79769313486232E+308 +Column.1.F.actual=1.144388081 +Column.2.F.actual=1.505690564 +Column.3.F.actual=0 +Column.4.F.actual=0 +Column.5.F.actual=0 +Column.6.F.actual=0 +column.1.L=30 +column.1.D=0.00025 +column.1.t=2.5E-07 +column.1.max=325 +column.1.name=Agilent 19091S-433 +column.1.type=HP-5MS 5% Phenyl Methyl Silox +column.2.L=0.4 +column.2.D=0.0001 +column.2.t=0 +column.2.max=350 +column.2.name= +column.3.L=25 +column.3.D=0.00032 +column.3.t=0 +column.3.max=450 +column.3.name= +column.4.L=25 +column.4.D=0.00032 +column.4.t=0 +column.4.max=450 +column.4.name= +column.5.L=25 +column.5.D=0.00032 +column.5.t=0 +column.5.max=450 +column.5.name= +column.6.L=25 +column.6.D=0.00032 +column.6.t=0 +column.6.max=450 +column.6.name= +Column.1.description.Present=true +Column.1.description.NominalLength=30 +Column.1.description.NominalDiameter=0.00025 +Column.1.description.FilmThickness=2.5E-07 +Column.1.description.InletConnection=FRONT_INLET +Column.1.description.OutletConnection=AUX_PRESSURE_3 +Column.1.description.CalculatedLength=30 +Column.1.description.CalculatedDiameter=0.00025 +Column.1.description.CalibrationMode=UNCALIBRATED +Column.1.description.CalibrationDateTime=2000-01-02T00:00:00 +Column.1.description.ColumnMaxTemp=325 +Column.1.description.Name=Agilent 19091S-433 +Column.1.description.Type=HP-5MS 5% Phenyl Methyl Silox +Column.1.description.SerialNumber=93.92873 +Column.2.description.Present=true +Column.2.description.NominalLength=0.4 +Column.2.description.NominalDiameter=0.0001 +Column.2.description.FilmThickness=0 +Column.2.description.InletConnection=AUX_PRESSURE_3 +Column.2.description.OutletConnection=VACUUM +Column.2.description.CalculatedLength=0.4 +Column.2.description.CalculatedDiameter=0.0001 +Column.2.description.CalibrationMode=UNCALIBRATED +Column.2.description.CalibrationDateTime=2000-01-02T00:00:00 +Column.2.description.ColumnMaxTemp=350 +Column.2.description.Name= +Column.2.description.Type="" +Column.2.description.SerialNumber="" +Column.3.description.Present=true +Column.3.description.NominalLength=25 +Column.3.description.NominalDiameter=0.00032 +Column.3.description.FilmThickness=0 +Column.3.description.InletConnection=NONE +Column.3.description.OutletConnection=NONE +Column.3.description.CalculatedLength=25 +Column.3.description.CalculatedDiameter=0.00032 +Column.3.description.CalibrationMode=UNCALIBRATED +Column.3.description.CalibrationDateTime=2000-01-02T00:00:00 +Column.3.description.ColumnMaxTemp=450 +Column.3.description.Name= +Column.3.description.Type="" +Column.3.description.SerialNumber="" +Column.4.description.Present=true +Column.4.description.NominalLength=25 +Column.4.description.NominalDiameter=0.00032 +Column.4.description.FilmThickness=0 +Column.4.description.InletConnection=NONE +Column.4.description.OutletConnection=NONE +Column.4.description.CalculatedLength=25 +Column.4.description.CalculatedDiameter=0.00032 +Column.4.description.CalibrationMode=UNCALIBRATED +Column.4.description.CalibrationDateTime=2000-01-02T00:00:00 +Column.4.description.ColumnMaxTemp=450 +Column.4.description.Name= +Column.4.description.Type="" +Column.4.description.SerialNumber="" +Column.5.description.Present=true +Column.5.description.NominalLength=25 +Column.5.description.NominalDiameter=0.00032 +Column.5.description.FilmThickness=0 +Column.5.description.InletConnection=NONE +Column.5.description.OutletConnection=NONE +Column.5.description.CalculatedLength=25 +Column.5.description.CalculatedDiameter=0.00032 +Column.5.description.CalibrationMode=UNCALIBRATED +Column.5.description.CalibrationDateTime=2000-01-02T00:00:00 +Column.5.description.ColumnMaxTemp=450 +Column.5.description.Name= +Column.5.description.Type="" +Column.5.description.SerialNumber="" +Column.6.description.Present=true +Column.6.description.NominalLength=25 +Column.6.description.NominalDiameter=0.00032 +Column.6.description.FilmThickness=0 +Column.6.description.InletConnection=NONE +Column.6.description.OutletConnection=NONE +Column.6.description.CalculatedLength=25 +Column.6.description.CalculatedDiameter=0.00032 +Column.6.description.CalibrationMode=UNCALIBRATED +Column.6.description.CalibrationDateTime=2000-01-02T00:00:00 +Column.6.description.ColumnMaxTemp=450 +Column.6.description.Name= +Column.6.description.Type="" +Column.6.description.SerialNumber="" +det.fr.T.state=-1.79769313486232E+308 +det.fr.T.setpoint=-1.79769313486232E+308 +det.fr.T.actual=-1.79769313486232E+308 +det.fr.Signal.actual=-1.79769313486232E+308 +det.fr.Fuel.actual=-1.79769313486232E+308 +det.fr.Utility.actual=-1.79769313486232E+308 +det.fr.makeup.actual=-1.79769313486232E+308 +det.bk.T.state=-1.79769313486232E+308 +det.bk.T.setpoint=-1.79769313486232E+308 +det.bk.T.actual=-1.79769313486232E+308 +det.bk.Signal.actual=-1.79769313486232E+308 +det.bk.Fuel.actual=-1.79769313486232E+308 +det.bk.Utility.actual=-1.79769313486232E+308 +det.bk.makeup.actual=-1.79769313486232E+308 +det.aux.T.state=-1.79769313486232E+308 +det.aux.T.setpoint=-1.79769313486232E+308 +det.aux.T.actual=-1.79769313486232E+308 +det.aux.Signal.actual=-1.79769313486232E+308 +det.aux.Fuel.actual=-1.79769313486232E+308 +det.aux.Utility.actual=-1.79769313486232E+308 +det.aux.makeup.actual=-1.79769313486232E+308 +det.4th.T.state=-1.79769313486232E+308 +det.4th.T.setpoint=-1.79769313486232E+308 +det.4th.T.actual=-1.79769313486232E+308 +det.4th.Signal.actual=-1.79769313486232E+308 +det.4th.Fuel.actual=-1.79769313486232E+308 +det.4th.Utility.actual=-1.79769313486232E+308 +det.4th.makeup.actual=-1.79769313486232E+308 +AuxH.1.T.state=-1.79769313486232E+308 +AuxH.1.T.type=-1.79769313486232E+308 +AuxH.1.T.actual=-1.79769313486232E+308 +AuxH.1.T.setpoint=-1.79769313486232E+308 +AuxH.2.T.state=1 +AuxH.2.T.type=-1.79769313486232E+308 +AuxH.2.T.actual=280.044109 +AuxH.2.T.setpoint=280 +AuxH.3.T.state=-1.79769313486232E+308 +AuxH.3.T.type=-1.79769313486232E+308 +AuxH.3.T.actual=-1.79769313486232E+308 +AuxH.3.T.setpoint=-1.79769313486232E+308 +rtlpressure=1377294.63663279 +rtlpressure.1=1377294.63663279 +rtlpressure.2=879395.685196652 +rtlpressure.3=-1.79769313486232E+308 +rtlpressure.4=-1.79769313486232E+308 +rtlpressure.5=-1.79769313486232E+308 +rtlpressure.6=-1.79769313486232E+308 +Valve.1.state=0 +Valve.2.state=0 +Valve.3.state=0 +Valve.4.state=0 +Valve.5.state=0 +Valve.6.state=0 +Valve.7.state=0 +Valve.8.state=0 +APC.1.A.P.actual=431762 +APC.1.B.P.actual=512 +APC.1.C.P.actual=1437231 +APC.2.A.P.actual=-1.79769313486232E+308 +APC.2.B.P.actual=-1.79769313486232E+308 +APC.2.C.P.actual=-1.79769313486232E+308 +APC.3.A.P.actual=-1.79769313486232E+308 +APC.3.B.P.actual=-1.79769313486232E+308 +APC.3.C.P.actual=-1.79769313486232E+308 +APC.1.A.P.setpoint=689475.7 +APC.1.B.P.setpoint=689475.7 +APC.1.C.P.setpoint=879395.6852 +APC.2.A.P.setpoint=-1.79769313486232E+308 +APC.2.B.P.setpoint=-1.79769313486232E+308 +APC.2.C.P.setpoint=-1.79769313486232E+308 +APC.3.A.P.setpoint=-1.79769313486232E+308 +APC.3.B.P.setpoint=-1.79769313486232E+308 +APC.3.C.P.setpoint=-1.79769313486232E+308 +APC.1.A.gas=He +APC.1.B.gas=He +APC.1.C.gas=He +APC.2.A.gas=!HW Item is not supported +APC.2.B.gas=!HW Item is not supported +APC.2.C.gas=!HW Item is not supported +APC.3.A.gas=!HW Item is not supported +APC.3.B.gas=!HW Item is not supported +APC.3.C.gas=!HW Item is not supported +pcm.1.a.P.setpoint=-1.79769313486232E+308 +pcm.1.b.P.setpoint=-1.79769313486232E+308 +pcm.2.a.P.setpoint=-1.79769313486232E+308 +pcm.2.b.P.setpoint=-1.79769313486232E+308 +pcm.3.a.P.setpoint=-1.79769313486232E+308 +pcm.3.b.P.setpoint=-1.79769313486232E+308 +pcm.1.a.P.actual=-1.79769313486232E+308 +pcm.1.b.P.actual=-1.79769313486232E+308 +pcm.2.a.P.actual=-1.79769313486232E+308 +pcm.2.b.P.actual=-1.79769313486232E+308 +pcm.3.a.P.actual=-1.79769313486232E+308 +pcm.3.b.P.actual=-1.79769313486232E+308 +pcm.1.a.F.actual=-1.79769313486232E+308 +pcm.1.b.F.actual=-1.79769313486232E+308 +pcm.2.a.F.actual=-1.79769313486232E+308 +pcm.2.b.F.actual=-1.79769313486232E+308 +pcm.3.a.F.actual=-1.79769313486232E+308 +pcm.3.b.F.actual=-1.79769313486232E+308 +pcm.1.a.gas=-1.79769313486232E+308 +pcm.1.b.gas=-1.79769313486232E+308 +pcm.2.a.gas=-1.79769313486232E+308 +pcm.2.b.gas=-1.79769313486232E+308 +pcm.3.a.gas=-1.79769313486232E+308 +pcm.3.b.gas=-1.79769313486232E+308 +AuxP.1.P.actual=431777 +AuxP.2.P.actual=504 +AuxP.3.P.actual=1418520 +AuxP.4.P.actual=-1.79769313486232E+308 +AuxP.5.P.actual=-1.79769313486232E+308 +AuxP.6.P.actual=-1.79769313486232E+308 +AuxP.7.P.actual=-1.79769313486232E+308 +AuxP.8.P.actual=-1.79769313486232E+308 +AuxP.9.P.actual=-1.79769313486232E+308 +Parameter name: APC.3.C.gas +Parameter name: APC.3.B.gas +Parameter name: APC.3.A.gas +Parameter name: APC.2.C.gas +Parameter name: APC.2.B.gas +Parameter name: APC.2.A.gas +Parameter name: inlet.bk.mode +Parameter name: inlet.bk.gas diff --git a/tests/test_readers/data/agilent_csv/RAU-R505-00.D/PRE_POST.INI b/tests/test_readers/data/agilent_csv/RAU-R505-00.D/PRE_POST.INI new file mode 100644 index 0000000..df8cdec --- /dev/null +++ b/tests/test_readers/data/agilent_csv/RAU-R505-00.D/PRE_POST.INI @@ -0,0 +1,115 @@ +[POSTRUN] +SOURCE=MS +Application=MassHunter GC/MS Acquisition B.07.06.2704 18-Jul-2017 Copyright © 1989-2017 Agilent Technologies, Inc. +Date=Thu Jun 06 14:44:34 2024 +SampleAmount=0 +Multiplier=1 +SmartCard=AGILENT TECHNOLOGIES,5977,US1827R022,6.00.34 +serial_n=US1827R022 +acqmode=0 +TuneName=ATUNE.U +TunePath=D:\MassHunter\GCMS\1\5977\ +TuneDate=20 Nov 2023 11:52 am +CImode=0 +CIpolarity=0 +SourceTemp=230 +QuadTemp=150 +Pressure=1.09E-05 +Matrix=1 +InitialAmt=1 +FinalAmt=1 +PrimaryFile=\data.ms +PrimaryType=hgfile +DataRecord=REV2:PARAFIT3 +SourceConf=101 +Observedm1=68.9963994372028 +Observedm2=218.954766989366 +Observedm3=502.003028423966 +Instrument Name=5977B MSD +controller=Top Sequence +timestamp=MS ChemStation +[Scan Parameters] +scanstart1=1 +lowmass1=45 +highmass1=550 +[TuneValues] +massgain=53 +massoffset=-26 +amugain=2335 +amuoffset=134.25 +dcpolarity=0 +emission=34.592541048648 +electron=70.0073246658121 +emvolts=1180.00366233291 +ACTUAL_EMVOLTS=1164.1 +GAIN FACTOR= 1.00 +entrance_lens=22.6722032242306 +filament=1 +ionfocus=90.3308509339519 +repeller=19.7593791966793 +entlensoffset=14.1102429495788 +[MS_Faults] +NUM_MS_Faults=0 +[firmware] +MSSC=6.00.34 +BSP=1.2/27.16T +HTTP=0.1 +LUI=04.32A.20160325 +[Type] +Type=1 +MHAcq=1 +[Sequence] +_methpath$=D:\MassHunter\GCMS\1\methods\ +_methfile$=Janis12min,1minsolventdelay.M +SeqFileName=D:\MassHunter\GCMS\1\sequence\IrisH.sequence.xml +[HW Config] +Smartcard=SC3.3 (SC33,40.0,32M,0K,64M,0x3722) +Sideboard=5975HI_SIDEBOARD +Log Amplifier=LOG02,121,54,2,CAL,y618051086 +Vacuum Pump=TURBO_PUMP +Vacuum Guage=HIVACGAUGE +CI Flow Control=NO_FCB +HES Driver PCA=SRC_PCA_TYPE_UNK +[Factors] +Mist=20 +Scan=NORM +A/Ds=16.00 +AVG.=1 +Samp=4 +Step=0.03 +Filter=Mass:ISTD +Qual=PARAFIT3 +SimSampPer=16 +Madly=800,9 +5975NoiseReduction=1 +5975EMSaver=-1 +LagFactors=-0.0285:8e-05:0 +tbyrst=40 +mbyrst=40 +tdomain=COEF,1.000000 +mdomain=-0.005964,-0.016017,0.008343,0.108516,0.247621 +[GainCoefficients] +Squared_=16.922441816685 +Linear__=48.3105062581599 +Constant=499.506255040877 +[Injection] +Tower=0 +F. SyringeVolume=10 +F. MethodVolume=1 +F. OverrideVolume=0 +R. SyringeVolume=0 +R. MethodVolume=0 +R. OverrideVolume=0 +Maxvial-1=150 +Maxvial-2=0 +Maxvial-3=0 +method specified sample prep= +[FC_VGauge] +CI=NO_FCB +Gauge=HIVACGAUGE +Pressure=1.1E-05 +[Compliance] +_iscompliant=0 +_isRandR=0 +_isSecureFS=0 +_isSecureRemoteFS=0 diff --git a/tests/test_readers/data/agilent_csv/RAU-R505-00.D/RESULTS.CSV b/tests/test_readers/data/agilent_csv/RAU-R505-00.D/RESULTS.CSV new file mode 100644 index 0000000..80de25f --- /dev/null +++ b/tests/test_readers/data/agilent_csv/RAU-R505-00.D/RESULTS.CSV @@ -0,0 +1,9 @@ +[contents] +count=1 +Name=,D:\MassHunter\GCMS\1\data\Elizabeth\B06\24.06.06\RAU-R505-0.D +1=,INT TIC: RAU-R505-0.D\data.ms +[INT TIC: RAU-R505-0.D\data.ms] +Time=,Thu Jun 06 17:25:48 2024 +Header=,"Peak","R.T.","First","Max","Last","PK TY","Height","Area","Pct Max","Pct Total" +1=, 1, 6.056, 856, 860, 880," M ",1366398, 13751453,100.00, 63.328 +2=, 2, 6.302, 899, 903, 909," M ",1063632, 7963360, 57.91, 36.672 diff --git a/tests/test_readers/data/agilent_csv/RAU-R505-00.D/TEMPBASE b/tests/test_readers/data/agilent_csv/RAU-R505-00.D/TEMPBASE new file mode 100644 index 0000000..e69de29 diff --git a/tests/test_readers/data/agilent_csv/RAU-R505-00.D/acqmeth.txt b/tests/test_readers/data/agilent_csv/RAU-R505-00.D/acqmeth.txt new file mode 100644 index 0000000..a7c0b10 Binary files /dev/null and b/tests/test_readers/data/agilent_csv/RAU-R505-00.D/acqmeth.txt differ diff --git a/tests/test_readers/data/agilent_csv/RAU-R505-00.D/checksum.xml b/tests/test_readers/data/agilent_csv/RAU-R505-00.D/checksum.xml new file mode 100644 index 0000000..9101e73 --- /dev/null +++ b/tests/test_readers/data/agilent_csv/RAU-R505-00.D/checksum.xml @@ -0,0 +1,7 @@ + + + +
+ D3-CB-8B-24-6D-8E-8B-05-1E-79-81-B0-45-F2-8C-D5-A9-71-75-90-AB-FE-D6-5B-2F-A6-71-BC-20-EB-44-EC-F8-4E-97-5F-F4-2E-86-A6-6C-4E-99-12-7D-5C-6E-62-EE-B1-92-3B-EE-85-C0-D4-75-E5-09-44-11-F8-93-BD +
+ \ No newline at end of file diff --git a/tests/test_readers/data/agilent_csv/RAU-R505-00.D/data.ms b/tests/test_readers/data/agilent_csv/RAU-R505-00.D/data.ms new file mode 100644 index 0000000..acb3ab3 Binary files /dev/null and b/tests/test_readers/data/agilent_csv/RAU-R505-00.D/data.ms differ diff --git a/tests/test_readers/data/agilent_csv/RAU-R505-00.D/rteres.txt b/tests/test_readers/data/agilent_csv/RAU-R505-00.D/rteres.txt new file mode 100644 index 0000000..4a76af4 --- /dev/null +++ b/tests/test_readers/data/agilent_csv/RAU-R505-00.D/rteres.txt @@ -0,0 +1,28 @@ + Area Percent Report + + Data Path : D:\MassHunter\GCMS\1\data\Elizabeth\B06\24.06.06\ + Data File : RAU-R505-0.D + Acq On : 06 Jun 2024 14:31 + Operator : Iris + Sample : RAU-R505-0 + Misc : + ALS Vial : 1 Sample Multiplier: 1 + + Integration Parameters: autoint1.e + Integrator: ChemStation + + Method : D:\MassHunter\GCMS\1\methods\Janis12min.M + Title : + + Signal : TIC: RAU-R505-0.D\data.ms + + peak R.T. first max last PK peak corr. corr. % of + # min scan scan scan TY height area % max. total + --- ----- ----- ---- ---- --- ------- ------- ------ ------- + 1 6.056 856 860 880 M 1366398 13751453 100.00% 63.328% + 2 6.302 899 903 909 M 1063632 7963360 57.91% 36.672% + + + Sum of corrected areas: 21714814 + +Janis12min.M Thu Jun 06 17:25:48 2024 diff --git a/tests/test_readers/data/agilent_csv/RAU-R505-00.D/runstart.txt b/tests/test_readers/data/agilent_csv/RAU-R505-00.D/runstart.txt new file mode 100644 index 0000000..59547d3 --- /dev/null +++ b/tests/test_readers/data/agilent_csv/RAU-R505-00.D/runstart.txt @@ -0,0 +1,64 @@ + Critical RunStart CP Variables + +CP Variable = Value + + Front Injector Available(_turretfrontavail) = 1 + Rear Injector Available(_turretrearavail) = 0 + Dual Injector Available(_turretdualavail) = 0 + + Injection Source(_injsource) = 1 1,2,3,4,5,6=ALS,Man,Valve,Ext.,PAL,HS,MiniTD + _injloc (_injloc) = 1 + MSD Sample(_msinlet) = 1 1,2=sample1=Front,sample2=Rear + + _ptavail : 1 _dopretreat : 0 _pretreatpath$ : D:\MassHunter\GCMS\1\PreTreat\ + _pretreatfile$ : _pretreatmeth$ : + + _Overlapped _overlap _ALSNEXT, _ALSNEXT2, _Lastlap 0 0 2 2 0 + +_overlapped: Is method currently overlapping? 0 +_overlap: Is hw capable of overlapping? 0 +_alsnext: Next vial front inlet? 2 +_lastlap: Indicator for last entry in SLT 0 + + _seqcheckbar: 0 On Mismatch, Inject Anyway + _seqcheckbarnext: 0 + Expected BCs : 2: + + Next Expected BCs : 2: + + Previous _checkbar : 0 + Previous _barmismatch: 0 + +_maxvial[] 1=150 2=0 3=0 + +Front Sample + + Alsbottle (_alsbottle) = 1 + Methfile (_methfile$) = Janis12min,1minsolventdelay.M + Datafile(,_datafile$) = RAU-R505-0.D + Sample Name (_dataname$) = RAU-R505-0 + Exp. Barcode(_expbarcode$)= + Miscellaneous (_miscinfo$) = + Vol. Override (_injvol) = 0 + Method Volume (_methvol) = 1 + SyringeVolume (_syrvol) = 10 + SyringeVolLow (_syrvollow) = 0 + Multiplier (_multiplr) = 1 + Sample Amt (_sampamt) = 0 + + +Rear Sample + + Alsbottle(_alsbottle2) = 0 + Datafile(_datafile2$) = RAU-R505-0.D + Sample Name(_dataname2$) = RAU-R505-0 + Exp. Barcode(_expbarcode2$) = + Miscellaneous(_miscinfo2$) = + Vol. Override(_injvol2) = 0 + Method Volume(_methvol2) = 0 + SyringeVolume(_syrvol2) = 0 + SyringeVolLow(_syrvollow2) = 0 + Multiplier(_multiplr2) = 1 + Sample Amt(_sampamt2) = 0 + +Thu Jun 06 14:30:28 2024 diff --git a/tests/test_readers/data/agilent_csv/RAU-R505-00.D/tic_front.csv b/tests/test_readers/data/agilent_csv/RAU-R505-00.D/tic_front.csv new file mode 100644 index 0000000..c36405c --- /dev/null +++ b/tests/test_readers/data/agilent_csv/RAU-R505-00.D/tic_front.csv @@ -0,0 +1,2014 @@ +D:\MassHunter\GCMS\1\data\Elizabeth\B06\24.06.06\RAU-R505-0.D 06 Jun 24 02:31 pm +Start of data points +1.09283,28271626 +1.0986,27066316 +1.10438,26941362 +1.11015,26257130 +1.11593,25471216 +1.1217,25057182 +1.12748,24363186 +1.13327,23963922 +1.13903,23351352 +1.14482,23102218 +1.15058,22744292 +1.15637,25168086 +1.16213,2105464 +1.16792,538447 +1.17368,455777 +1.17947,416580 +1.18523,421884 +1.19102,530107 +1.19678,755414 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of file diff --git a/tests/test_readers/data/agilent_csv/RAU-R505-01.D/AcqData/Contents.xml b/tests/test_readers/data/agilent_csv/RAU-R505-01.D/AcqData/Contents.xml new file mode 100644 index 0000000..e7e0125 --- /dev/null +++ b/tests/test_readers/data/agilent_csv/RAU-R505-01.D/AcqData/Contents.xml @@ -0,0 +1,17 @@ + + + 3 + + + 2024-06-06T14:53:07.8718940+02:00 + + 2 + 5977B MSD + + 0 + + 2 + + 2 + MassHunter GC/MS Acquisition B.07.06.2704 18-Jul-2017 Copyright © 1989-2017 Agilent Technologies, Inc. + \ No newline at end of file diff --git a/tests/test_readers/data/agilent_csv/RAU-R505-01.D/AcqData/Devices.xml b/tests/test_readers/data/agilent_csv/RAU-R505-01.D/AcqData/Devices.xml new file mode 100644 index 0000000..0b92837 --- /dev/null +++ b/tests/test_readers/data/agilent_csv/RAU-R505-01.D/AcqData/Devices.xml @@ -0,0 +1,16 @@ + + + 1 + + SingleQuadrupole + 7.6.0.0 + 6.00.34 + 5977 + 1 + US1827R022 + 2 + 8 + 0 + 1 + + \ No newline at end of file diff --git a/tests/test_readers/data/agilent_csv/RAU-R505-01.D/AcqData/Janis12min,1minsolventdelay.M/acq.ms b/tests/test_readers/data/agilent_csv/RAU-R505-01.D/AcqData/Janis12min,1minsolventdelay.M/acq.ms new file mode 100644 index 0000000..2fcdc23 --- /dev/null +++ b/tests/test_readers/data/agilent_csv/RAU-R505-01.D/AcqData/Janis12min,1minsolventdelay.M/acq.ms @@ -0,0 +1,146 @@ +[Signature] +ID=00000000000000000000000000000000 + +[Version] +ID=G1701CA Version: C.00.00 + +[General] +Type=6 +Inlet=0 +Start Mode=0 +Run Duration=39000 +Solvent Delay=1 +Tune File=ATUNE.U +Group Ions=1 +Acq Mode=0 +Gauges=2 +Fast Scan=0 +TID=0 +EMSaver=0 + +[Zone 1] +ID=1 +On=1 +Soft Max=200 +Set Point=150 +Type=0 + +[Zone 2] +ID=0 +On=1 +Soft Max=250 +Set Point=230 +Type=0 + +[Zone 3] +ID=-1 +On=0 +Soft Max=0 +Set Point=0 +Type=0 + +[Ions 1] +Group Name=OFN-272-LR +Start Time=4.2 +Resolution=1 +Plot Index 1=0 +Number of Ions=1 +Ion 1=272.00,50 +Group EMV Setting=10 +Use Group EMV Setting=true +IonL1= + +[Scan 1] +Start Time=1 +Low Mass=45 +High Mass=550 +Threshold=150 +Sampling=4 +Low Plot 1= +Low Plot 2= +High Plot 1= +High Plot 2= + +[Scan 2] + +[Scan 3] + +[Filters] +Mass Type=0 +Mass Param=0 +Mass Sigma=0 +Time Type=0 +Time Param=0 +Time Sigma=0 + +[Plot] +Plot Type 1=0 +Time Plot 1=0 +Min Plot 1=0 +Max Plot 1=0 +Left Plot 1=0.000000 +Top Plot 1=0.085653 +Width Plot 1=0.520196 +Height Plot 1=0.625268 +Mode Plot 1=2 +Plot Type 2=2 +Time Plot 2=0 +Min Plot 2=0 +Max Plot 2=0 +Left Plot 2=0.198286 +Top Plot 2=0.197002 +Width Plot 2=0.499388 +Height Plot 2=0.501071 +Mode Plot 2=2 +X Gadget Pos 1=5 +Y Gadget Pos 1=230 +X Gadget Pos 2=130 +Y Gadget Pos 2=230 +Low Mass 1=1.6 +High Mass 1=1050 +Plot Label 1= +Low Mass 2=1.6 +High Mass 2=1050 +Plot Label 2= + +[Gauge1] +Type=2 +ID=1 +Display Type=0 +Left Plot=380 +Top Plot=230 +Alarm Error=100.00 +Alarm Warning=100.00 +Alarm Minimum=0.00 +Alarm Set=0 + +[Gauge2] +Type=2 +ID=0 +Display Type=0 +Left Plot=255 +Top Plot=230 +Alarm Error=100.00 +Alarm Warning=100.00 +Alarm Minimum=0.00 +Alarm Set=0 + + +[Parameters] +ID 1=7 +Mode 1=2 +Value 1=1.000000 +ID 2=-1 +Mode 2=0 +Value 2=0.000000 +[Time Events] +Number Events=0 +[SCIS] +H2FlowRate=0.13 +Emission=10 +SourceTemperature=230 +QuadrupoleTemperature=150 +Duration=1.3 +StabilizationDuration=0.166666666666667 +Filament=2 +Mode=None diff --git a/tests/test_readers/data/agilent_csv/RAU-R505-01.D/AcqData/MSPeak.bin b/tests/test_readers/data/agilent_csv/RAU-R505-01.D/AcqData/MSPeak.bin new file mode 100644 index 0000000..b2ea199 Binary files /dev/null and b/tests/test_readers/data/agilent_csv/RAU-R505-01.D/AcqData/MSPeak.bin differ diff --git a/tests/test_readers/data/agilent_csv/RAU-R505-01.D/AcqData/MSScan.bin b/tests/test_readers/data/agilent_csv/RAU-R505-01.D/AcqData/MSScan.bin new file mode 100644 index 0000000..aa084fa Binary files /dev/null and b/tests/test_readers/data/agilent_csv/RAU-R505-01.D/AcqData/MSScan.bin differ diff --git a/tests/test_readers/data/agilent_csv/RAU-R505-01.D/AcqData/MSScan.xsd b/tests/test_readers/data/agilent_csv/RAU-R505-01.D/AcqData/MSScan.xsd new file mode 100644 index 0000000..5157805 --- /dev/null +++ b/tests/test_readers/data/agilent_csv/RAU-R505-01.D/AcqData/MSScan.xsd @@ -0,0 +1,92 @@ + + + + + + + + MSScan binary file index record details + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + diff --git a/tests/test_readers/data/agilent_csv/RAU-R505-01.D/AcqData/MSTS.xml b/tests/test_readers/data/agilent_csv/RAU-R505-01.D/AcqData/MSTS.xml new file mode 100644 index 0000000..3de75d5 --- /dev/null +++ b/tests/test_readers/data/agilent_csv/RAU-R505-01.D/AcqData/MSTS.xml @@ -0,0 +1,14 @@ + + + 3 + + + 0 + + 650 + 2012 + + 0 + + 0 + \ No newline at end of file diff --git a/tests/test_readers/data/agilent_csv/RAU-R505-01.D/AcqData/sample_info.xml b/tests/test_readers/data/agilent_csv/RAU-R505-01.D/AcqData/sample_info.xml new file mode 100644 index 0000000..729bfee --- /dev/null +++ b/tests/test_readers/data/agilent_csv/RAU-R505-01.D/AcqData/sample_info.xml @@ -0,0 +1,264 @@ + + 1.0 + + Dilution + Dilution + 1 + 8 + + + + + Inj Vol (µl) + Inj Vol (µl) + 1 + 8 + + + + + Wt/Vol + Wt/Vol + 0 + 8 + + + + + Sample ID + Sample ID + + + 8 + + + + + Sample Name + Sample Name + RAU-R505-1 + 8 + + + + + Sample Position + Sample Position + 2 + 8 + + + + + Sample Type + Sample Type + + + 8 + + + + + Data File + Data File + D:\MassHunter\GCMS\1\data\Elizabeth\B06\24.06.06\RAU-R505-1.D + 8 + + + + + Method + Method + D:\MassHunter\GCMS\1\methods\Janis12min,1minsolventdelay.M + 8 + + + + + Override DA Method + Override DA Method + + + 8 + + + + + Level Name + Level Name + + + 8 + + + + + Comment + Comment + + + 8 + + + + + Balance Override + Balance Override + + + 8 + + + + + Barcode + Barcode + + + 8 + + + + + Equilib Time (min) + Equilib Time (min) + 0 + 8 + + + + + Plate Code + Plate Code + + + 8 + + + + + Plate Position + Plate Position + + + 8 + + + + + Rack Code + Rack Code + + + 8 + + + + + Rack Position + Rack Position + + + 8 + + + + + 11033566147 + Expected Barcode + + + 8 + + + + + 2844456348 + Sample Amount + + + 8 + + + + + 31773273943 + Dual Inj Vol + 1 + 8 + + + + + 4733539183 + TuneName + ATUNE.U + 8 + + + + + 5617873076 + TunePath + D:\MassHunter\GCMS\1\5977\ + 8 + + + + + 618709744 + TuneDateStamp + 2023-11-20T11:52:13+01:00 + 8 + + + + + 7735735133 + MSFirmwareVersion + 6.00.34 + 8 + + + + + OperatorName + OperatorName + Iris + 8 + + + + + AcqTime + AcqTime + 2024-06-06T14:53:07.8718940+02:00 + 8 + + + + + SampleLockedRunMode + SampleLockedRunMode + False + 8 + + + + + RunCompletedFlag + RunCompletedFlag + True + 8 + + + + + InstrumentName + InstrumentName + 5977B MSD + 8 + + + + \ No newline at end of file diff --git a/tests/test_readers/data/agilent_csv/RAU-R505-01.D/AcqData/sequence.xml b/tests/test_readers/data/agilent_csv/RAU-R505-01.D/AcqData/sequence.xml new file mode 100644 index 0000000..72d8005 --- /dev/null +++ b/tests/test_readers/data/agilent_csv/RAU-R505-01.D/AcqData/sequence.xml @@ -0,0 +1,57 @@ + + + 0 + 0 + Janis12min,1minsolventdelay + D:\MassHunter\GCMS\1\methods\ + + false + + + + RAU-R505-1 + D:\MassHunter\GCMS\1\data\Elizabeth\B06\24.06.06\ + 1 + false + + 2 + 0 + 0 + + 1 + 1 + 5977B MSD + SingleQuadrupole + + + + + false + + 2 + + + + RAU-R505-1 + dummy + + + Sample + + None + None + None + None + + + + + + + + + + + 2 + + \ No newline at end of file diff --git a/tests/test_readers/data/agilent_csv/RAU-R505-01.D/GC.ini b/tests/test_readers/data/agilent_csv/RAU-R505-01.D/GC.ini new file mode 100644 index 0000000..1e0cf00 --- /dev/null +++ b/tests/test_readers/data/agilent_csv/RAU-R505-01.D/GC.ini @@ -0,0 +1,284 @@ +[7890 DriverItem] +gc.fw=B.02.05.1 +gc.sn=CN18333156 +gc.ready=3 +gc.status=1 +ALS.fr.present=1 +ALS.fr.syringe=10 +ALS.fr.volume=1 +ALS.bk.present=0 +ALS.bk.syringe=-1.79769313486232E+308 +ALS.bk.volume=-1.79769313486232E+308 +ALS.tray.present=1 +ALS.bcr.present=0 +gc.runlength=12.7142857142857 +gc.runtime=12.7136645666906 +gc.postrun=0 +gc.posttime=-1.79769313486232E+308 +gc.pressureunits=1 +Oven.T.state=1 +Oven.T.actual=259.6538343 +Oven.T.setpoint=30 +oven.T.ramp=30,30,4,35,300,1 +inlet.fr.T.state=1 +inlet.fr.T.actual=250.046763 +inlet.fr.T.setpoint=250 +inlet.fr.column=1 +inlet.bk.T.state=-1.79769313486232E+308 +inlet.bk.T.actual=-1.79769313486232E+308 +inlet.bk.T.setpoint=-1.79769313486232E+308 +inlet.bk.column=-1.79769313486232E+308 +inlet.fr.gas=He +inlet.fr.p.actual=2531650 +inlet.fr.f.actual=0.3459496756 +inlet.fr.mode=SPLIT +inlet.fr.splitratio=50 +inlet.bk.gas=!HW Item is not supported +inlet.bk.p.actual=-1.79769313486232E+308 +inlet.bk.f.actual=-1.79769313486232E+308 +inlet.bk.mode=!HW Item is not supported +inlet.bk.splitratio=-1.79769313486232E+308 +Column.1.F.actual=1.134004241 +Column.2.F.actual=1.505505076 +Column.3.F.actual=0 +Column.4.F.actual=0 +Column.5.F.actual=0 +Column.6.F.actual=0 +column.1.L=30 +column.1.D=0.00025 +column.1.t=2.5E-07 +column.1.max=325 +column.1.name=Agilent 19091S-433 +column.1.type=HP-5MS 5% Phenyl Methyl Silox +column.2.L=0.4 +column.2.D=0.0001 +column.2.t=0 +column.2.max=350 +column.2.name= +column.3.L=25 +column.3.D=0.00032 +column.3.t=0 +column.3.max=450 +column.3.name= +column.4.L=25 +column.4.D=0.00032 +column.4.t=0 +column.4.max=450 +column.4.name= +column.5.L=25 +column.5.D=0.00032 +column.5.t=0 +column.5.max=450 +column.5.name= +column.6.L=25 +column.6.D=0.00032 +column.6.t=0 +column.6.max=450 +column.6.name= +Column.1.description.Present=true +Column.1.description.NominalLength=30 +Column.1.description.NominalDiameter=0.00025 +Column.1.description.FilmThickness=2.5E-07 +Column.1.description.InletConnection=FRONT_INLET +Column.1.description.OutletConnection=AUX_PRESSURE_3 +Column.1.description.CalculatedLength=30 +Column.1.description.CalculatedDiameter=0.00025 +Column.1.description.CalibrationMode=UNCALIBRATED +Column.1.description.CalibrationDateTime=2000-01-02T00:00:00 +Column.1.description.ColumnMaxTemp=325 +Column.1.description.Name=Agilent 19091S-433 +Column.1.description.Type=HP-5MS 5% Phenyl Methyl Silox +Column.1.description.SerialNumber=93.92873 +Column.2.description.Present=true +Column.2.description.NominalLength=0.4 +Column.2.description.NominalDiameter=0.0001 +Column.2.description.FilmThickness=0 +Column.2.description.InletConnection=AUX_PRESSURE_3 +Column.2.description.OutletConnection=VACUUM +Column.2.description.CalculatedLength=0.4 +Column.2.description.CalculatedDiameter=0.0001 +Column.2.description.CalibrationMode=UNCALIBRATED +Column.2.description.CalibrationDateTime=2000-01-02T00:00:00 +Column.2.description.ColumnMaxTemp=350 +Column.2.description.Name= +Column.2.description.Type="" +Column.2.description.SerialNumber="" +Column.3.description.Present=true +Column.3.description.NominalLength=25 +Column.3.description.NominalDiameter=0.00032 +Column.3.description.FilmThickness=0 +Column.3.description.InletConnection=NONE +Column.3.description.OutletConnection=NONE +Column.3.description.CalculatedLength=25 +Column.3.description.CalculatedDiameter=0.00032 +Column.3.description.CalibrationMode=UNCALIBRATED +Column.3.description.CalibrationDateTime=2000-01-02T00:00:00 +Column.3.description.ColumnMaxTemp=450 +Column.3.description.Name= +Column.3.description.Type="" +Column.3.description.SerialNumber="" +Column.4.description.Present=true +Column.4.description.NominalLength=25 +Column.4.description.NominalDiameter=0.00032 +Column.4.description.FilmThickness=0 +Column.4.description.InletConnection=NONE +Column.4.description.OutletConnection=NONE +Column.4.description.CalculatedLength=25 +Column.4.description.CalculatedDiameter=0.00032 +Column.4.description.CalibrationMode=UNCALIBRATED +Column.4.description.CalibrationDateTime=2000-01-02T00:00:00 +Column.4.description.ColumnMaxTemp=450 +Column.4.description.Name= +Column.4.description.Type="" +Column.4.description.SerialNumber="" +Column.5.description.Present=true +Column.5.description.NominalLength=25 +Column.5.description.NominalDiameter=0.00032 +Column.5.description.FilmThickness=0 +Column.5.description.InletConnection=NONE +Column.5.description.OutletConnection=NONE +Column.5.description.CalculatedLength=25 +Column.5.description.CalculatedDiameter=0.00032 +Column.5.description.CalibrationMode=UNCALIBRATED +Column.5.description.CalibrationDateTime=2000-01-02T00:00:00 +Column.5.description.ColumnMaxTemp=450 +Column.5.description.Name= +Column.5.description.Type="" +Column.5.description.SerialNumber="" +Column.6.description.Present=true +Column.6.description.NominalLength=25 +Column.6.description.NominalDiameter=0.00032 +Column.6.description.FilmThickness=0 +Column.6.description.InletConnection=NONE +Column.6.description.OutletConnection=NONE +Column.6.description.CalculatedLength=25 +Column.6.description.CalculatedDiameter=0.00032 +Column.6.description.CalibrationMode=UNCALIBRATED +Column.6.description.CalibrationDateTime=2000-01-02T00:00:00 +Column.6.description.ColumnMaxTemp=450 +Column.6.description.Name= +Column.6.description.Type="" +Column.6.description.SerialNumber="" +det.fr.T.state=-1.79769313486232E+308 +det.fr.T.setpoint=-1.79769313486232E+308 +det.fr.T.actual=-1.79769313486232E+308 +det.fr.Signal.actual=-1.79769313486232E+308 +det.fr.Fuel.actual=-1.79769313486232E+308 +det.fr.Utility.actual=-1.79769313486232E+308 +det.fr.makeup.actual=-1.79769313486232E+308 +det.bk.T.state=-1.79769313486232E+308 +det.bk.T.setpoint=-1.79769313486232E+308 +det.bk.T.actual=-1.79769313486232E+308 +det.bk.Signal.actual=-1.79769313486232E+308 +det.bk.Fuel.actual=-1.79769313486232E+308 +det.bk.Utility.actual=-1.79769313486232E+308 +det.bk.makeup.actual=-1.79769313486232E+308 +det.aux.T.state=-1.79769313486232E+308 +det.aux.T.setpoint=-1.79769313486232E+308 +det.aux.T.actual=-1.79769313486232E+308 +det.aux.Signal.actual=-1.79769313486232E+308 +det.aux.Fuel.actual=-1.79769313486232E+308 +det.aux.Utility.actual=-1.79769313486232E+308 +det.aux.makeup.actual=-1.79769313486232E+308 +det.4th.T.state=-1.79769313486232E+308 +det.4th.T.setpoint=-1.79769313486232E+308 +det.4th.T.actual=-1.79769313486232E+308 +det.4th.Signal.actual=-1.79769313486232E+308 +det.4th.Fuel.actual=-1.79769313486232E+308 +det.4th.Utility.actual=-1.79769313486232E+308 +det.4th.makeup.actual=-1.79769313486232E+308 +AuxH.1.T.state=-1.79769313486232E+308 +AuxH.1.T.type=-1.79769313486232E+308 +AuxH.1.T.actual=-1.79769313486232E+308 +AuxH.1.T.setpoint=-1.79769313486232E+308 +AuxH.2.T.state=1 +AuxH.2.T.type=-1.79769313486232E+308 +AuxH.2.T.actual=280.0791579 +AuxH.2.T.setpoint=280 +AuxH.3.T.state=-1.79769313486232E+308 +AuxH.3.T.type=-1.79769313486232E+308 +AuxH.3.T.actual=-1.79769313486232E+308 +AuxH.3.T.setpoint=-1.79769313486232E+308 +rtlpressure=1377294.63663279 +rtlpressure.1=1377294.63663279 +rtlpressure.2=879395.685196652 +rtlpressure.3=-1.79769313486232E+308 +rtlpressure.4=-1.79769313486232E+308 +rtlpressure.5=-1.79769313486232E+308 +rtlpressure.6=-1.79769313486232E+308 +Valve.1.state=0 +Valve.2.state=0 +Valve.3.state=0 +Valve.4.state=0 +Valve.5.state=0 +Valve.6.state=0 +Valve.7.state=0 +Valve.8.state=0 +APC.1.A.P.actual=438809 +APC.1.B.P.actual=5955 +APC.1.C.P.actual=1444026 +APC.2.A.P.actual=-1.79769313486232E+308 +APC.2.B.P.actual=-1.79769313486232E+308 +APC.2.C.P.actual=-1.79769313486232E+308 +APC.3.A.P.actual=-1.79769313486232E+308 +APC.3.B.P.actual=-1.79769313486232E+308 +APC.3.C.P.actual=-1.79769313486232E+308 +APC.1.A.P.setpoint=689475.7 +APC.1.B.P.setpoint=689475.7 +APC.1.C.P.setpoint=879395.6852 +APC.2.A.P.setpoint=-1.79769313486232E+308 +APC.2.B.P.setpoint=-1.79769313486232E+308 +APC.2.C.P.setpoint=-1.79769313486232E+308 +APC.3.A.P.setpoint=-1.79769313486232E+308 +APC.3.B.P.setpoint=-1.79769313486232E+308 +APC.3.C.P.setpoint=-1.79769313486232E+308 +APC.1.A.gas=He +APC.1.B.gas=He +APC.1.C.gas=He +APC.2.A.gas=!HW Item is not supported +APC.2.B.gas=!HW Item is not supported +APC.2.C.gas=!HW Item is not supported +APC.3.A.gas=!HW Item is not supported +APC.3.B.gas=!HW Item is not supported +APC.3.C.gas=!HW Item is not supported +pcm.1.a.P.setpoint=-1.79769313486232E+308 +pcm.1.b.P.setpoint=-1.79769313486232E+308 +pcm.2.a.P.setpoint=-1.79769313486232E+308 +pcm.2.b.P.setpoint=-1.79769313486232E+308 +pcm.3.a.P.setpoint=-1.79769313486232E+308 +pcm.3.b.P.setpoint=-1.79769313486232E+308 +pcm.1.a.P.actual=-1.79769313486232E+308 +pcm.1.b.P.actual=-1.79769313486232E+308 +pcm.2.a.P.actual=-1.79769313486232E+308 +pcm.2.b.P.actual=-1.79769313486232E+308 +pcm.3.a.P.actual=-1.79769313486232E+308 +pcm.3.b.P.actual=-1.79769313486232E+308 +pcm.1.a.F.actual=-1.79769313486232E+308 +pcm.1.b.F.actual=-1.79769313486232E+308 +pcm.2.a.F.actual=-1.79769313486232E+308 +pcm.2.b.F.actual=-1.79769313486232E+308 +pcm.3.a.F.actual=-1.79769313486232E+308 +pcm.3.b.F.actual=-1.79769313486232E+308 +pcm.1.a.gas=-1.79769313486232E+308 +pcm.1.b.gas=-1.79769313486232E+308 +pcm.2.a.gas=-1.79769313486232E+308 +pcm.2.b.gas=-1.79769313486232E+308 +pcm.3.a.gas=-1.79769313486232E+308 +pcm.3.b.gas=-1.79769313486232E+308 +AuxP.1.P.actual=438820 +AuxP.2.P.actual=5954 +AuxP.3.P.actual=1424993 +AuxP.4.P.actual=-1.79769313486232E+308 +AuxP.5.P.actual=-1.79769313486232E+308 +AuxP.6.P.actual=-1.79769313486232E+308 +AuxP.7.P.actual=-1.79769313486232E+308 +AuxP.8.P.actual=-1.79769313486232E+308 +AuxP.9.P.actual=-1.79769313486232E+308 +Parameter name: APC.3.C.gas +Parameter name: APC.3.B.gas +Parameter name: APC.3.A.gas +Parameter name: APC.2.C.gas +Parameter name: APC.2.B.gas +Parameter name: APC.2.A.gas +Parameter name: inlet.bk.mode +Parameter name: inlet.bk.gas diff --git a/tests/test_readers/data/agilent_csv/RAU-R505-01.D/PRE_POST.INI b/tests/test_readers/data/agilent_csv/RAU-R505-01.D/PRE_POST.INI new file mode 100644 index 0000000..2b73ce7 --- /dev/null +++ b/tests/test_readers/data/agilent_csv/RAU-R505-01.D/PRE_POST.INI @@ -0,0 +1,115 @@ +[POSTRUN] +SOURCE=MS +Application=MassHunter GC/MS Acquisition B.07.06.2704 18-Jul-2017 Copyright © 1989-2017 Agilent Technologies, Inc. +Date=Thu Jun 06 15:05:54 2024 +SampleAmount=0 +Multiplier=1 +SmartCard=AGILENT TECHNOLOGIES,5977,US1827R022,6.00.34 +serial_n=US1827R022 +acqmode=0 +TuneName=ATUNE.U +TunePath=D:\MassHunter\GCMS\1\5977\ +TuneDate=20 Nov 2023 11:52 am +CImode=0 +CIpolarity=0 +SourceTemp=230 +QuadTemp=150 +Pressure=1.10E-05 +Matrix=1 +InitialAmt=1 +FinalAmt=1 +PrimaryFile=\data.ms +PrimaryType=hgfile +DataRecord=REV2:PARAFIT3 +SourceConf=101 +Observedm1=68.9963994372028 +Observedm2=218.954766989366 +Observedm3=502.003028423966 +Instrument Name=5977B MSD +controller=Top Sequence +timestamp=MS ChemStation +[Scan Parameters] +scanstart1=1 +lowmass1=45 +highmass1=550 +[TuneValues] +massgain=53 +massoffset=-26 +amugain=2335 +amuoffset=134.25 +dcpolarity=0 +emission=34.592541048648 +electron=70.0073246658121 +emvolts=1180.00366233291 +ACTUAL_EMVOLTS=1164.1 +GAIN FACTOR= 1.00 +entrance_lens=22.6722032242306 +filament=1 +ionfocus=90.3308509339519 +repeller=19.7593791966793 +entlensoffset=14.1102429495788 +[MS_Faults] +NUM_MS_Faults=0 +[firmware] +MSSC=6.00.34 +BSP=1.2/27.16T +HTTP=0.1 +LUI=04.32A.20160325 +[Type] +Type=1 +MHAcq=1 +[Sequence] +_methpath$=D:\MassHunter\GCMS\1\methods\ +_methfile$=Janis12min,1minsolventdelay.M +SeqFileName=D:\MassHunter\GCMS\1\sequence\IrisH.sequence.xml +[HW Config] +Smartcard=SC3.3 (SC33,40.0,32M,0K,64M,0x3722) +Sideboard=5975HI_SIDEBOARD +Log Amplifier=LOG02,121,54,2,CAL,y618051086 +Vacuum Pump=TURBO_PUMP +Vacuum Guage=HIVACGAUGE +CI Flow Control=NO_FCB +HES Driver PCA=SRC_PCA_TYPE_UNK +[Factors] +Mist=20 +Scan=NORM +A/Ds=16.00 +AVG.=1 +Samp=4 +Step=0.03 +Filter=Mass:ISTD +Qual=PARAFIT3 +SimSampPer=16 +Madly=800,9 +5975NoiseReduction=1 +5975EMSaver=-1 +LagFactors=-0.0285:8e-05:0 +tbyrst=40 +mbyrst=40 +tdomain=COEF,1.000000 +mdomain=-0.005964,-0.016017,0.008343,0.108516,0.247621 +[GainCoefficients] +Squared_=16.922441816685 +Linear__=48.3105062581599 +Constant=499.506255040877 +[Injection] +Tower=0 +F. SyringeVolume=10 +F. MethodVolume=1 +F. OverrideVolume=0 +R. SyringeVolume=0 +R. MethodVolume=0 +R. OverrideVolume=0 +Maxvial-1=150 +Maxvial-2=0 +Maxvial-3=0 +method specified sample prep= +[FC_VGauge] +CI=NO_FCB +Gauge=HIVACGAUGE +Pressure=1.1E-05 +[Compliance] +_iscompliant=0 +_isRandR=0 +_isSecureFS=0 +_isSecureRemoteFS=0 diff --git a/tests/test_readers/data/agilent_csv/RAU-R505-01.D/RESULTS.CSV b/tests/test_readers/data/agilent_csv/RAU-R505-01.D/RESULTS.CSV new file mode 100644 index 0000000..c829772 --- /dev/null +++ b/tests/test_readers/data/agilent_csv/RAU-R505-01.D/RESULTS.CSV @@ -0,0 +1,10 @@ +[contents] +count=1 +Name=,D:\MassHunter\GCMS\1\data\Elizabeth\B06\24.06.06\RAU-R505-1.D +1=,INT TIC: RAU-R505-1.D\data.ms +[INT TIC: RAU-R505-1.D\data.ms] +Time=,Thu Jun 06 16:30:15 2024 +Header=,"Peak","R.T.","First","Max","Last","PK TY","Height","Area","Pct Max","Pct Total" +1=, 1, 6.056, 857, 860, 873," M ",1861939, 15635678,100.00, 61.453 +2=, 2, 6.302, 898, 903, 910," M ",1270553, 9226452, 59.01, 36.263 +3=, 3, 10.319, 1595,1598,1604," M2", 23793, 581160, 3.72, 2.284 diff --git a/tests/test_readers/data/agilent_csv/RAU-R505-01.D/TEMPBASE b/tests/test_readers/data/agilent_csv/RAU-R505-01.D/TEMPBASE new file mode 100644 index 0000000..e69de29 diff --git a/tests/test_readers/data/agilent_csv/RAU-R505-01.D/acqmeth.txt b/tests/test_readers/data/agilent_csv/RAU-R505-01.D/acqmeth.txt new file mode 100644 index 0000000..832ca5b Binary files /dev/null and b/tests/test_readers/data/agilent_csv/RAU-R505-01.D/acqmeth.txt differ diff --git a/tests/test_readers/data/agilent_csv/RAU-R505-01.D/checksum.xml b/tests/test_readers/data/agilent_csv/RAU-R505-01.D/checksum.xml new file mode 100644 index 0000000..af55fc6 --- /dev/null +++ b/tests/test_readers/data/agilent_csv/RAU-R505-01.D/checksum.xml @@ -0,0 +1,7 @@ + + + +
+ D9-61-47-2E-0E-50-31-F5-03-FF-02-00-A3-40-BD-25-EF-5E-91-98-9F-73-39-DE-10-57-7E-F9-28-C1-16-E0-D6-B6-AA-0F-9F-16-2C-A5-74-D5-CC-86-7A-12-FB-ED-C9-DF-5C-C4-42-4A-40-35-9F-2E-5F-27-85-BA-F3-60 +
+ \ No newline at end of file diff --git a/tests/test_readers/data/agilent_csv/RAU-R505-01.D/data.ms b/tests/test_readers/data/agilent_csv/RAU-R505-01.D/data.ms new file mode 100644 index 0000000..7c73a26 Binary files /dev/null and b/tests/test_readers/data/agilent_csv/RAU-R505-01.D/data.ms differ diff --git a/tests/test_readers/data/agilent_csv/RAU-R505-01.D/rteres.txt b/tests/test_readers/data/agilent_csv/RAU-R505-01.D/rteres.txt new file mode 100644 index 0000000..2359f29 --- /dev/null +++ b/tests/test_readers/data/agilent_csv/RAU-R505-01.D/rteres.txt @@ -0,0 +1,29 @@ + Area Percent Report + + Data Path : D:\MassHunter\GCMS\1\data\Elizabeth\B06\24.06.06\ + Data File : RAU-R505-1.D + Acq On : 06 Jun 2024 14:53 + Operator : Iris + Sample : RAU-R505-1 + Misc : + ALS Vial : 2 Sample Multiplier: 1 + + Integration Parameters: autoint1.e + Integrator: ChemStation + + Method : D:\MassHunter\GCMS\1\methods\Janis12min.M + Title : + + Signal : TIC: RAU-R505-1.D\data.ms + + peak R.T. first max last PK peak corr. corr. % of + # min scan scan scan TY height area % max. total + --- ----- ----- ---- ---- --- ------- ------- ------ ------- + 1 6.056 857 860 873 M 1861939 15635678 100.00% 61.453% + 2 6.302 898 903 910 M 1270553 9226452 59.01% 36.263% + 3 10.319 1595 1598 1604 M2 23793 581160 3.72% 2.284% + + + Sum of corrected areas: 25443291 + +Janis12min.M Thu Jun 06 16:30:15 2024 diff --git a/tests/test_readers/data/agilent_csv/RAU-R505-01.D/runstart.txt b/tests/test_readers/data/agilent_csv/RAU-R505-01.D/runstart.txt new file mode 100644 index 0000000..ab99c0f --- /dev/null +++ b/tests/test_readers/data/agilent_csv/RAU-R505-01.D/runstart.txt @@ -0,0 +1,64 @@ + Critical RunStart CP Variables + +CP Variable = Value + + Front Injector Available(_turretfrontavail) = 1 + Rear Injector Available(_turretrearavail) = 0 + Dual Injector Available(_turretdualavail) = 0 + + Injection Source(_injsource) = 1 1,2,3,4,5,6=ALS,Man,Valve,Ext.,PAL,HS,MiniTD + _injloc (_injloc) = 1 + MSD Sample(_msinlet) = 1 1,2=sample1=Front,sample2=Rear + + _ptavail : 1 _dopretreat : 0 _pretreatpath$ : D:\MassHunter\GCMS\1\PreTreat\ + _pretreatfile$ : _pretreatmeth$ : + + _Overlapped _overlap _ALSNEXT, _ALSNEXT2, _Lastlap 0 0 3 3 0 + +_overlapped: Is method currently overlapping? 0 +_overlap: Is hw capable of overlapping? 0 +_alsnext: Next vial front inlet? 3 +_lastlap: Indicator for last entry in SLT 0 + + _seqcheckbar: 0 On Mismatch, Inject Anyway + _seqcheckbarnext: 0 + Expected BCs : 2: + + Next Expected BCs : 2: + + Previous _checkbar : 0 + Previous _barmismatch: 0 + +_maxvial[] 1=150 2=0 3=0 + +Front Sample + + Alsbottle (_alsbottle) = 2 + Methfile (_methfile$) = Janis12min,1minsolventdelay.M + Datafile(,_datafile$) = RAU-R505-1.D + Sample Name (_dataname$) = RAU-R505-1 + Exp. Barcode(_expbarcode$)= + Miscellaneous (_miscinfo$) = + Vol. Override (_injvol) = 0 + Method Volume (_methvol) = 1 + SyringeVolume (_syrvol) = 10 + SyringeVolLow (_syrvollow) = 0 + Multiplier (_multiplr) = 1 + Sample Amt (_sampamt) = 0 + + +Rear Sample + + Alsbottle(_alsbottle2) = 0 + Datafile(_datafile2$) = RAU-R505-1.D + Sample Name(_dataname2$) = RAU-R505-1 + Exp. Barcode(_expbarcode2$) = + Miscellaneous(_miscinfo2$) = + Vol. Override(_injvol2) = 0 + Method Volume(_methvol2) = 0 + SyringeVolume(_syrvol2) = 0 + SyringeVolLow(_syrvollow2) = 0 + Multiplier(_multiplr2) = 1 + Sample Amt(_sampamt2) = 0 + +Thu Jun 06 14:44:51 2024 diff --git a/tests/test_readers/data/agilent_csv/RAU-R505-01.D/tic_front.csv b/tests/test_readers/data/agilent_csv/RAU-R505-01.D/tic_front.csv new file mode 100644 index 0000000..43cff43 --- /dev/null +++ b/tests/test_readers/data/agilent_csv/RAU-R505-01.D/tic_front.csv @@ -0,0 +1,2014 @@ +D:\MassHunter\GCMS\1\data\Elizabeth\B06\24.06.06\RAU-R505-1.D 06 Jun 24 02:53 pm +Start of data points +1.09303,27601846 +1.09882,26591586 +1.10458,26618508 +1.11037,25876798 +1.11613,25191688 +1.12192,24742946 +1.12768,24316904 +1.13347,23769520 +1.13923,23249486 +1.14502,22783824 +1.15078,22641754 +1.15657,26353930 +1.16233,765209 +1.16812,533096 +1.17388,455318 +1.17967,424352 +1.18543,451215 +1.19122,579247 +1.19698,844042 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+ + + 0 + WS-CZC83174R0 + system + 2024-06-06T15:06:11.719881+02:00 + Data collection has been initiated. + + + 1 + WS-CZC83174R0 + system + 2024-06-06T15:27:43.9357517+02:00 + Data has been collected and saved. + + \ No newline at end of file diff --git a/tests/test_readers/data/agilent_csv/RAU-R505-02.D/AcqData/Contents.xml b/tests/test_readers/data/agilent_csv/RAU-R505-02.D/AcqData/Contents.xml new file mode 100644 index 0000000..c78a3df --- /dev/null +++ b/tests/test_readers/data/agilent_csv/RAU-R505-02.D/AcqData/Contents.xml @@ -0,0 +1,17 @@ + + + 3 + + + 2024-06-06T15:15:01.6680843+02:00 + + 2 + 5977B MSD + + 0 + + 2 + + 2 + MassHunter GC/MS Acquisition B.07.06.2704 18-Jul-2017 Copyright © 1989-2017 Agilent Technologies, Inc. + \ No newline at end of file diff --git a/tests/test_readers/data/agilent_csv/RAU-R505-02.D/AcqData/Devices.xml b/tests/test_readers/data/agilent_csv/RAU-R505-02.D/AcqData/Devices.xml new file mode 100644 index 0000000..0b92837 --- /dev/null +++ b/tests/test_readers/data/agilent_csv/RAU-R505-02.D/AcqData/Devices.xml @@ -0,0 +1,16 @@ + + + 1 + + SingleQuadrupole + 7.6.0.0 + 6.00.34 + 5977 + 1 + US1827R022 + 2 + 8 + 0 + 1 + + \ No newline at end of file diff --git a/tests/test_readers/data/agilent_csv/RAU-R505-02.D/AcqData/Janis12min,1minsolventdelay.M/acq.ms b/tests/test_readers/data/agilent_csv/RAU-R505-02.D/AcqData/Janis12min,1minsolventdelay.M/acq.ms new file mode 100644 index 0000000..2fcdc23 --- /dev/null +++ b/tests/test_readers/data/agilent_csv/RAU-R505-02.D/AcqData/Janis12min,1minsolventdelay.M/acq.ms @@ -0,0 +1,146 @@ +[Signature] +ID=00000000000000000000000000000000 + +[Version] +ID=G1701CA Version: C.00.00 + +[General] +Type=6 +Inlet=0 +Start Mode=0 +Run Duration=39000 +Solvent Delay=1 +Tune File=ATUNE.U +Group Ions=1 +Acq Mode=0 +Gauges=2 +Fast Scan=0 +TID=0 +EMSaver=0 + +[Zone 1] +ID=1 +On=1 +Soft Max=200 +Set Point=150 +Type=0 + +[Zone 2] +ID=0 +On=1 +Soft Max=250 +Set Point=230 +Type=0 + +[Zone 3] +ID=-1 +On=0 +Soft Max=0 +Set Point=0 +Type=0 + +[Ions 1] +Group Name=OFN-272-LR +Start Time=4.2 +Resolution=1 +Plot Index 1=0 +Number of Ions=1 +Ion 1=272.00,50 +Group EMV Setting=10 +Use Group EMV Setting=true +IonL1= + +[Scan 1] +Start Time=1 +Low Mass=45 +High Mass=550 +Threshold=150 +Sampling=4 +Low Plot 1= +Low Plot 2= +High Plot 1= +High Plot 2= + +[Scan 2] + +[Scan 3] + +[Filters] +Mass Type=0 +Mass Param=0 +Mass Sigma=0 +Time Type=0 +Time Param=0 +Time Sigma=0 + +[Plot] +Plot Type 1=0 +Time Plot 1=0 +Min Plot 1=0 +Max Plot 1=0 +Left Plot 1=0.000000 +Top Plot 1=0.085653 +Width Plot 1=0.520196 +Height Plot 1=0.625268 +Mode Plot 1=2 +Plot Type 2=2 +Time Plot 2=0 +Min Plot 2=0 +Max Plot 2=0 +Left Plot 2=0.198286 +Top Plot 2=0.197002 +Width Plot 2=0.499388 +Height Plot 2=0.501071 +Mode Plot 2=2 +X Gadget Pos 1=5 +Y Gadget Pos 1=230 +X Gadget Pos 2=130 +Y Gadget Pos 2=230 +Low Mass 1=1.6 +High Mass 1=1050 +Plot Label 1= +Low Mass 2=1.6 +High Mass 2=1050 +Plot Label 2= + +[Gauge1] +Type=2 +ID=1 +Display Type=0 +Left Plot=380 +Top Plot=230 +Alarm Error=100.00 +Alarm Warning=100.00 +Alarm Minimum=0.00 +Alarm Set=0 + +[Gauge2] +Type=2 +ID=0 +Display Type=0 +Left Plot=255 +Top Plot=230 +Alarm Error=100.00 +Alarm Warning=100.00 +Alarm Minimum=0.00 +Alarm Set=0 + + +[Parameters] +ID 1=7 +Mode 1=2 +Value 1=1.000000 +ID 2=-1 +Mode 2=0 +Value 2=0.000000 +[Time Events] +Number Events=0 +[SCIS] +H2FlowRate=0.13 +Emission=10 +SourceTemperature=230 +QuadrupoleTemperature=150 +Duration=1.3 +StabilizationDuration=0.166666666666667 +Filament=2 +Mode=None diff --git a/tests/test_readers/data/agilent_csv/RAU-R505-02.D/AcqData/MSPeak.bin b/tests/test_readers/data/agilent_csv/RAU-R505-02.D/AcqData/MSPeak.bin new file mode 100644 index 0000000..04f7693 Binary files /dev/null and b/tests/test_readers/data/agilent_csv/RAU-R505-02.D/AcqData/MSPeak.bin differ diff --git a/tests/test_readers/data/agilent_csv/RAU-R505-02.D/AcqData/MSScan.bin b/tests/test_readers/data/agilent_csv/RAU-R505-02.D/AcqData/MSScan.bin new file mode 100644 index 0000000..35d74a7 Binary files /dev/null and b/tests/test_readers/data/agilent_csv/RAU-R505-02.D/AcqData/MSScan.bin differ diff --git a/tests/test_readers/data/agilent_csv/RAU-R505-02.D/AcqData/MSScan.xsd b/tests/test_readers/data/agilent_csv/RAU-R505-02.D/AcqData/MSScan.xsd new file mode 100644 index 0000000..5157805 --- /dev/null +++ b/tests/test_readers/data/agilent_csv/RAU-R505-02.D/AcqData/MSScan.xsd @@ -0,0 +1,92 @@ + + + + + + + + MSScan binary file index record details + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + diff --git a/tests/test_readers/data/agilent_csv/RAU-R505-02.D/AcqData/MSTS.xml b/tests/test_readers/data/agilent_csv/RAU-R505-02.D/AcqData/MSTS.xml new file mode 100644 index 0000000..3de75d5 --- /dev/null +++ b/tests/test_readers/data/agilent_csv/RAU-R505-02.D/AcqData/MSTS.xml @@ -0,0 +1,14 @@ + + + 3 + + + 0 + + 650 + 2012 + + 0 + + 0 + \ No newline at end of file diff --git a/tests/test_readers/data/agilent_csv/RAU-R505-02.D/AcqData/sample_info.xml b/tests/test_readers/data/agilent_csv/RAU-R505-02.D/AcqData/sample_info.xml new file mode 100644 index 0000000..69d1134 --- /dev/null +++ b/tests/test_readers/data/agilent_csv/RAU-R505-02.D/AcqData/sample_info.xml @@ -0,0 +1,264 @@ + + 1.0 + + Dilution + Dilution + 1 + 8 + + + + + Inj Vol (µl) + Inj Vol (µl) + 1 + 8 + + + + + Wt/Vol + Wt/Vol + 0 + 8 + + + + + Sample ID + Sample ID + + + 8 + + + + + Sample Name + Sample Name + RAU-R505-2 + 8 + + + + + Sample Position + Sample Position + 3 + 8 + + + + + Sample Type + Sample Type + + + 8 + + + + + Data File + Data File + D:\MassHunter\GCMS\1\data\Elizabeth\B06\24.06.06\RAU-R505-2.D + 8 + + + + + Method + Method + D:\MassHunter\GCMS\1\methods\Janis12min,1minsolventdelay.M + 8 + + + + + Override DA Method + Override DA Method + + + 8 + + + + + Level Name + Level Name + + + 8 + + + + + Comment + Comment + + + 8 + + + + + Balance Override + Balance Override + + + 8 + + + + + Barcode + Barcode + + + 8 + + + + + Equilib Time (min) + Equilib Time (min) + 0 + 8 + + + + + Plate Code + Plate Code + + + 8 + + + + + Plate Position + Plate Position + + + 8 + + + + + Rack Code + Rack Code + + + 8 + + + + + Rack Position + Rack Position + + + 8 + + + + + 1161784116 + Expected Barcode + + + 8 + + + + + 21860433245 + Sample Amount + + + 8 + + + + + 3443320225 + Dual Inj Vol + 1 + 8 + + + + + 41081591652 + TuneName + ATUNE.U + 8 + + + + + 51920340193 + TunePath + D:\MassHunter\GCMS\1\5977\ + 8 + + + + + 62036273615 + TuneDateStamp + 2023-11-20T11:52:13+01:00 + 8 + + + + + 71286265064 + MSFirmwareVersion + 6.00.34 + 8 + + + + + OperatorName + OperatorName + Iris + 8 + + + + + AcqTime + AcqTime + 2024-06-06T15:15:01.6680843+02:00 + 8 + + + + + SampleLockedRunMode + SampleLockedRunMode + False + 8 + + + + + RunCompletedFlag + RunCompletedFlag + True + 8 + + + + + InstrumentName + InstrumentName + 5977B MSD + 8 + + + + \ No newline at end of file diff --git a/tests/test_readers/data/agilent_csv/RAU-R505-02.D/AcqData/sequence.xml b/tests/test_readers/data/agilent_csv/RAU-R505-02.D/AcqData/sequence.xml new file mode 100644 index 0000000..85aef46 --- /dev/null +++ b/tests/test_readers/data/agilent_csv/RAU-R505-02.D/AcqData/sequence.xml @@ -0,0 +1,57 @@ + + + 0 + 0 + Janis12min,1minsolventdelay + D:\MassHunter\GCMS\1\methods\ + + false + + + + RAU-R505-2 + D:\MassHunter\GCMS\1\data\Elizabeth\B06\24.06.06\ + 1 + false + + 3 + 0 + 0 + + 1 + 1 + 5977B MSD + SingleQuadrupole + + + + + false + + 2 + + + + RAU-R505-2 + dummy + + + Sample + + None + None + None + None + + + + + + + + + + + 3 + + \ No newline at end of file diff --git a/tests/test_readers/data/agilent_csv/RAU-R505-02.D/GC.ini b/tests/test_readers/data/agilent_csv/RAU-R505-02.D/GC.ini new file mode 100644 index 0000000..51a52fd --- /dev/null +++ b/tests/test_readers/data/agilent_csv/RAU-R505-02.D/GC.ini @@ -0,0 +1,284 @@ +[7890 DriverItem] +gc.fw=B.02.05.1 +gc.sn=CN18333156 +gc.ready=3 +gc.status=1 +ALS.fr.present=1 +ALS.fr.syringe=10 +ALS.fr.volume=1 +ALS.bk.present=0 +ALS.bk.syringe=-1.79769313486232E+308 +ALS.bk.volume=-1.79769313486232E+308 +ALS.tray.present=1 +ALS.bcr.present=0 +gc.runlength=12.7142857142857 +gc.runtime=12.7136552000302 +gc.postrun=0 +gc.posttime=-1.79769313486232E+308 +gc.pressureunits=1 +Oven.T.state=1 +Oven.T.actual=259.417085 +Oven.T.setpoint=30 +oven.T.ramp=30,30,4,35,300,1 +inlet.fr.T.state=1 +inlet.fr.T.actual=250.0530911 +inlet.fr.T.setpoint=250 +inlet.fr.column=1 +inlet.bk.T.state=-1.79769313486232E+308 +inlet.bk.T.actual=-1.79769313486232E+308 +inlet.bk.T.setpoint=-1.79769313486232E+308 +inlet.bk.column=-1.79769313486232E+308 +inlet.fr.gas=He +inlet.fr.p.actual=2532002 +inlet.fr.f.actual=0.4266370803 +inlet.fr.mode=SPLIT +inlet.fr.splitratio=50 +inlet.bk.gas=!HW Item is not supported +inlet.bk.p.actual=-1.79769313486232E+308 +inlet.bk.f.actual=-1.79769313486232E+308 +inlet.bk.mode=!HW Item is not supported +inlet.bk.splitratio=-1.79769313486232E+308 +Column.1.F.actual=1.135397126 +Column.2.F.actual=1.505281343 +Column.3.F.actual=0 +Column.4.F.actual=0 +Column.5.F.actual=0 +Column.6.F.actual=0 +column.1.L=30 +column.1.D=0.00025 +column.1.t=2.5E-07 +column.1.max=325 +column.1.name=Agilent 19091S-433 +column.1.type=HP-5MS 5% Phenyl Methyl Silox +column.2.L=0.4 +column.2.D=0.0001 +column.2.t=0 +column.2.max=350 +column.2.name= +column.3.L=25 +column.3.D=0.00032 +column.3.t=0 +column.3.max=450 +column.3.name= +column.4.L=25 +column.4.D=0.00032 +column.4.t=0 +column.4.max=450 +column.4.name= +column.5.L=25 +column.5.D=0.00032 +column.5.t=0 +column.5.max=450 +column.5.name= +column.6.L=25 +column.6.D=0.00032 +column.6.t=0 +column.6.max=450 +column.6.name= +Column.1.description.Present=true +Column.1.description.NominalLength=30 +Column.1.description.NominalDiameter=0.00025 +Column.1.description.FilmThickness=2.5E-07 +Column.1.description.InletConnection=FRONT_INLET +Column.1.description.OutletConnection=AUX_PRESSURE_3 +Column.1.description.CalculatedLength=30 +Column.1.description.CalculatedDiameter=0.00025 +Column.1.description.CalibrationMode=UNCALIBRATED +Column.1.description.CalibrationDateTime=2000-01-02T00:00:00 +Column.1.description.ColumnMaxTemp=325 +Column.1.description.Name=Agilent 19091S-433 +Column.1.description.Type=HP-5MS 5% Phenyl Methyl Silox +Column.1.description.SerialNumber=93.92873 +Column.2.description.Present=true +Column.2.description.NominalLength=0.4 +Column.2.description.NominalDiameter=0.0001 +Column.2.description.FilmThickness=0 +Column.2.description.InletConnection=AUX_PRESSURE_3 +Column.2.description.OutletConnection=VACUUM +Column.2.description.CalculatedLength=0.4 +Column.2.description.CalculatedDiameter=0.0001 +Column.2.description.CalibrationMode=UNCALIBRATED +Column.2.description.CalibrationDateTime=2000-01-02T00:00:00 +Column.2.description.ColumnMaxTemp=350 +Column.2.description.Name= +Column.2.description.Type="" +Column.2.description.SerialNumber="" +Column.3.description.Present=true +Column.3.description.NominalLength=25 +Column.3.description.NominalDiameter=0.00032 +Column.3.description.FilmThickness=0 +Column.3.description.InletConnection=NONE +Column.3.description.OutletConnection=NONE +Column.3.description.CalculatedLength=25 +Column.3.description.CalculatedDiameter=0.00032 +Column.3.description.CalibrationMode=UNCALIBRATED +Column.3.description.CalibrationDateTime=2000-01-02T00:00:00 +Column.3.description.ColumnMaxTemp=450 +Column.3.description.Name= +Column.3.description.Type="" +Column.3.description.SerialNumber="" +Column.4.description.Present=true +Column.4.description.NominalLength=25 +Column.4.description.NominalDiameter=0.00032 +Column.4.description.FilmThickness=0 +Column.4.description.InletConnection=NONE +Column.4.description.OutletConnection=NONE +Column.4.description.CalculatedLength=25 +Column.4.description.CalculatedDiameter=0.00032 +Column.4.description.CalibrationMode=UNCALIBRATED +Column.4.description.CalibrationDateTime=2000-01-02T00:00:00 +Column.4.description.ColumnMaxTemp=450 +Column.4.description.Name= +Column.4.description.Type="" +Column.4.description.SerialNumber="" +Column.5.description.Present=true +Column.5.description.NominalLength=25 +Column.5.description.NominalDiameter=0.00032 +Column.5.description.FilmThickness=0 +Column.5.description.InletConnection=NONE +Column.5.description.OutletConnection=NONE +Column.5.description.CalculatedLength=25 +Column.5.description.CalculatedDiameter=0.00032 +Column.5.description.CalibrationMode=UNCALIBRATED +Column.5.description.CalibrationDateTime=2000-01-02T00:00:00 +Column.5.description.ColumnMaxTemp=450 +Column.5.description.Name= +Column.5.description.Type="" +Column.5.description.SerialNumber="" +Column.6.description.Present=true +Column.6.description.NominalLength=25 +Column.6.description.NominalDiameter=0.00032 +Column.6.description.FilmThickness=0 +Column.6.description.InletConnection=NONE +Column.6.description.OutletConnection=NONE +Column.6.description.CalculatedLength=25 +Column.6.description.CalculatedDiameter=0.00032 +Column.6.description.CalibrationMode=UNCALIBRATED +Column.6.description.CalibrationDateTime=2000-01-02T00:00:00 +Column.6.description.ColumnMaxTemp=450 +Column.6.description.Name= +Column.6.description.Type="" +Column.6.description.SerialNumber="" +det.fr.T.state=-1.79769313486232E+308 +det.fr.T.setpoint=-1.79769313486232E+308 +det.fr.T.actual=-1.79769313486232E+308 +det.fr.Signal.actual=-1.79769313486232E+308 +det.fr.Fuel.actual=-1.79769313486232E+308 +det.fr.Utility.actual=-1.79769313486232E+308 +det.fr.makeup.actual=-1.79769313486232E+308 +det.bk.T.state=-1.79769313486232E+308 +det.bk.T.setpoint=-1.79769313486232E+308 +det.bk.T.actual=-1.79769313486232E+308 +det.bk.Signal.actual=-1.79769313486232E+308 +det.bk.Fuel.actual=-1.79769313486232E+308 +det.bk.Utility.actual=-1.79769313486232E+308 +det.bk.makeup.actual=-1.79769313486232E+308 +det.aux.T.state=-1.79769313486232E+308 +det.aux.T.setpoint=-1.79769313486232E+308 +det.aux.T.actual=-1.79769313486232E+308 +det.aux.Signal.actual=-1.79769313486232E+308 +det.aux.Fuel.actual=-1.79769313486232E+308 +det.aux.Utility.actual=-1.79769313486232E+308 +det.aux.makeup.actual=-1.79769313486232E+308 +det.4th.T.state=-1.79769313486232E+308 +det.4th.T.setpoint=-1.79769313486232E+308 +det.4th.T.actual=-1.79769313486232E+308 +det.4th.Signal.actual=-1.79769313486232E+308 +det.4th.Fuel.actual=-1.79769313486232E+308 +det.4th.Utility.actual=-1.79769313486232E+308 +det.4th.makeup.actual=-1.79769313486232E+308 +AuxH.1.T.state=-1.79769313486232E+308 +AuxH.1.T.type=-1.79769313486232E+308 +AuxH.1.T.actual=-1.79769313486232E+308 +AuxH.1.T.setpoint=-1.79769313486232E+308 +AuxH.2.T.state=1 +AuxH.2.T.type=-1.79769313486232E+308 +AuxH.2.T.actual=280.0431842 +AuxH.2.T.setpoint=280 +AuxH.3.T.state=-1.79769313486232E+308 +AuxH.3.T.type=-1.79769313486232E+308 +AuxH.3.T.actual=-1.79769313486232E+308 +AuxH.3.T.setpoint=-1.79769313486232E+308 +rtlpressure=1377294.63663279 +rtlpressure.1=1377294.63663279 +rtlpressure.2=879395.685196652 +rtlpressure.3=-1.79769313486232E+308 +rtlpressure.4=-1.79769313486232E+308 +rtlpressure.5=-1.79769313486232E+308 +rtlpressure.6=-1.79769313486232E+308 +Valve.1.state=0 +Valve.2.state=0 +Valve.3.state=0 +Valve.4.state=0 +Valve.5.state=0 +Valve.6.state=0 +Valve.7.state=0 +Valve.8.state=0 +APC.1.A.P.actual=443449 +APC.1.B.P.actual=9432 +APC.1.C.P.actual=1442613 +APC.2.A.P.actual=-1.79769313486232E+308 +APC.2.B.P.actual=-1.79769313486232E+308 +APC.2.C.P.actual=-1.79769313486232E+308 +APC.3.A.P.actual=-1.79769313486232E+308 +APC.3.B.P.actual=-1.79769313486232E+308 +APC.3.C.P.actual=-1.79769313486232E+308 +APC.1.A.P.setpoint=689475.7 +APC.1.B.P.setpoint=689475.7 +APC.1.C.P.setpoint=879395.6852 +APC.2.A.P.setpoint=-1.79769313486232E+308 +APC.2.B.P.setpoint=-1.79769313486232E+308 +APC.2.C.P.setpoint=-1.79769313486232E+308 +APC.3.A.P.setpoint=-1.79769313486232E+308 +APC.3.B.P.setpoint=-1.79769313486232E+308 +APC.3.C.P.setpoint=-1.79769313486232E+308 +APC.1.A.gas=He +APC.1.B.gas=He +APC.1.C.gas=He +APC.2.A.gas=!HW Item is not supported +APC.2.B.gas=!HW Item is not supported +APC.2.C.gas=!HW Item is not supported +APC.3.A.gas=!HW Item is not supported +APC.3.B.gas=!HW Item is not supported +APC.3.C.gas=!HW Item is not supported +pcm.1.a.P.setpoint=-1.79769313486232E+308 +pcm.1.b.P.setpoint=-1.79769313486232E+308 +pcm.2.a.P.setpoint=-1.79769313486232E+308 +pcm.2.b.P.setpoint=-1.79769313486232E+308 +pcm.3.a.P.setpoint=-1.79769313486232E+308 +pcm.3.b.P.setpoint=-1.79769313486232E+308 +pcm.1.a.P.actual=-1.79769313486232E+308 +pcm.1.b.P.actual=-1.79769313486232E+308 +pcm.2.a.P.actual=-1.79769313486232E+308 +pcm.2.b.P.actual=-1.79769313486232E+308 +pcm.3.a.P.actual=-1.79769313486232E+308 +pcm.3.b.P.actual=-1.79769313486232E+308 +pcm.1.a.F.actual=-1.79769313486232E+308 +pcm.1.b.F.actual=-1.79769313486232E+308 +pcm.2.a.F.actual=-1.79769313486232E+308 +pcm.2.b.F.actual=-1.79769313486232E+308 +pcm.3.a.F.actual=-1.79769313486232E+308 +pcm.3.b.F.actual=-1.79769313486232E+308 +pcm.1.a.gas=-1.79769313486232E+308 +pcm.1.b.gas=-1.79769313486232E+308 +pcm.2.a.gas=-1.79769313486232E+308 +pcm.2.b.gas=-1.79769313486232E+308 +pcm.3.a.gas=-1.79769313486232E+308 +pcm.3.b.gas=-1.79769313486232E+308 +AuxP.1.P.actual=443449 +AuxP.2.P.actual=9432 +AuxP.3.P.actual=1442613 +AuxP.4.P.actual=-1.79769313486232E+308 +AuxP.5.P.actual=-1.79769313486232E+308 +AuxP.6.P.actual=-1.79769313486232E+308 +AuxP.7.P.actual=-1.79769313486232E+308 +AuxP.8.P.actual=-1.79769313486232E+308 +AuxP.9.P.actual=-1.79769313486232E+308 +Parameter name: APC.3.C.gas +Parameter name: APC.3.B.gas +Parameter name: APC.3.A.gas +Parameter name: APC.2.C.gas +Parameter name: APC.2.B.gas +Parameter name: APC.2.A.gas +Parameter name: inlet.bk.mode +Parameter name: inlet.bk.gas diff --git a/tests/test_readers/data/agilent_csv/RAU-R505-02.D/PRE_POST.INI b/tests/test_readers/data/agilent_csv/RAU-R505-02.D/PRE_POST.INI new file mode 100644 index 0000000..f79656b --- /dev/null +++ b/tests/test_readers/data/agilent_csv/RAU-R505-02.D/PRE_POST.INI @@ -0,0 +1,115 @@ +[POSTRUN] +SOURCE=MS +Application=MassHunter GC/MS Acquisition B.07.06.2704 18-Jul-2017 Copyright © 1989-2017 Agilent Technologies, Inc. +Date=Thu Jun 06 15:27:46 2024 +SampleAmount=0 +Multiplier=1 +SmartCard=AGILENT TECHNOLOGIES,5977,US1827R022,6.00.34 +serial_n=US1827R022 +acqmode=0 +TuneName=ATUNE.U +TunePath=D:\MassHunter\GCMS\1\5977\ +TuneDate=20 Nov 2023 11:52 am +CImode=0 +CIpolarity=0 +SourceTemp=230 +QuadTemp=150 +Pressure=1.10E-05 +Matrix=1 +InitialAmt=1 +FinalAmt=1 +PrimaryFile=\data.ms +PrimaryType=hgfile +DataRecord=REV2:PARAFIT3 +SourceConf=101 +Observedm1=68.9963994372028 +Observedm2=218.954766989366 +Observedm3=502.003028423966 +Instrument Name=5977B MSD +controller=Top Sequence +timestamp=MS ChemStation +[Scan Parameters] +scanstart1=1 +lowmass1=45 +highmass1=550 +[TuneValues] +massgain=53 +massoffset=-26 +amugain=2335 +amuoffset=134.25 +dcpolarity=0 +emission=34.592541048648 +electron=70.0073246658121 +emvolts=1180.00366233291 +ACTUAL_EMVOLTS=1164.1 +GAIN FACTOR= 1.00 +entrance_lens=22.6722032242306 +filament=1 +ionfocus=90.3308509339519 +repeller=19.7593791966793 +entlensoffset=14.1102429495788 +[MS_Faults] +NUM_MS_Faults=0 +[firmware] +MSSC=6.00.34 +BSP=1.2/27.16T +HTTP=0.1 +LUI=04.32A.20160325 +[Type] +Type=1 +MHAcq=1 +[Sequence] +_methpath$=D:\MassHunter\GCMS\1\methods\ +_methfile$=Janis12min,1minsolventdelay.M +SeqFileName=D:\MassHunter\GCMS\1\sequence\IrisH.sequence.xml +[HW Config] +Smartcard=SC3.3 (SC33,40.0,32M,0K,64M,0x3722) +Sideboard=5975HI_SIDEBOARD +Log Amplifier=LOG02,121,54,2,CAL,y618051086 +Vacuum Pump=TURBO_PUMP +Vacuum Guage=HIVACGAUGE +CI Flow Control=NO_FCB +HES Driver PCA=SRC_PCA_TYPE_UNK +[Factors] +Mist=20 +Scan=NORM +A/Ds=16.00 +AVG.=1 +Samp=4 +Step=0.03 +Filter=Mass:ISTD +Qual=PARAFIT3 +SimSampPer=16 +Madly=800,9 +5975NoiseReduction=1 +5975EMSaver=-1 +LagFactors=-0.0285:8e-05:0 +tbyrst=40 +mbyrst=40 +tdomain=COEF,1.000000 +mdomain=-0.005964,-0.016017,0.008343,0.108516,0.247621 +[GainCoefficients] +Squared_=16.922441816685 +Linear__=48.3105062581599 +Constant=499.506255040877 +[Injection] +Tower=0 +F. SyringeVolume=10 +F. MethodVolume=1 +F. OverrideVolume=0 +R. SyringeVolume=0 +R. MethodVolume=0 +R. OverrideVolume=0 +Maxvial-1=150 +Maxvial-2=0 +Maxvial-3=0 +method specified sample prep= +[FC_VGauge] +CI=NO_FCB +Gauge=HIVACGAUGE +Pressure=1.1E-05 +[Compliance] +_iscompliant=0 +_isRandR=0 +_isSecureFS=0 +_isSecureRemoteFS=0 diff --git a/tests/test_readers/data/agilent_csv/RAU-R505-02.D/RESULTS.CSV b/tests/test_readers/data/agilent_csv/RAU-R505-02.D/RESULTS.CSV new file mode 100644 index 0000000..1ef891e --- /dev/null +++ b/tests/test_readers/data/agilent_csv/RAU-R505-02.D/RESULTS.CSV @@ -0,0 +1,10 @@ +[contents] +count=1 +Name=,D:\MassHunter\GCMS\1\data\Elizabeth\B06\24.06.06\RAU-R505-2.D +1=,INT TIC: RAU-R505-2.D\data.ms +[INT TIC: RAU-R505-2.D\data.ms] +Time=,Thu Jun 06 16:30:55 2024 +Header=,"Peak","R.T.","First","Max","Last","PK TY","Height","Area","Pct Max","Pct Total" +1=, 1, 6.055, 857, 860, 874," M ",1855504, 15074299,100.00, 58.032 +2=, 2, 6.302, 898, 903, 909," M ",1241405, 9082279, 60.25, 34.964 +3=, 3, 10.301, 1591,1595,1607," M2", 83356, 1819337, 12.07, 7.004 diff --git a/tests/test_readers/data/agilent_csv/RAU-R505-02.D/TEMPBASE b/tests/test_readers/data/agilent_csv/RAU-R505-02.D/TEMPBASE new file mode 100644 index 0000000..e69de29 diff --git a/tests/test_readers/data/agilent_csv/RAU-R505-02.D/acqmeth.txt b/tests/test_readers/data/agilent_csv/RAU-R505-02.D/acqmeth.txt new file mode 100644 index 0000000..f59c707 Binary files /dev/null and b/tests/test_readers/data/agilent_csv/RAU-R505-02.D/acqmeth.txt differ diff --git a/tests/test_readers/data/agilent_csv/RAU-R505-02.D/checksum.xml b/tests/test_readers/data/agilent_csv/RAU-R505-02.D/checksum.xml new file mode 100644 index 0000000..1e45fba --- /dev/null +++ b/tests/test_readers/data/agilent_csv/RAU-R505-02.D/checksum.xml @@ -0,0 +1,7 @@ + + + +
+ E6-A2-8B-45-44-FA-A9-FF-CB-AD-60-E8-DF-01-99-AB-57-65-E2-D8-9D-45-88-9B-AC-BE-D3-2C-97-D5-25-EC-9E-2E-0C-AB-3E-34-37-27-32-51-1E-47-49-75-03-C9-5A-35-98-9A-81-BE-9F-5F-33-3F-33-F7-16-5D-E4-BD +
+ \ No newline at end of file diff --git a/tests/test_readers/data/agilent_csv/RAU-R505-02.D/data.ms b/tests/test_readers/data/agilent_csv/RAU-R505-02.D/data.ms new file mode 100644 index 0000000..4f2b5d9 Binary files /dev/null and b/tests/test_readers/data/agilent_csv/RAU-R505-02.D/data.ms differ diff --git a/tests/test_readers/data/agilent_csv/RAU-R505-02.D/rteres.txt b/tests/test_readers/data/agilent_csv/RAU-R505-02.D/rteres.txt new file mode 100644 index 0000000..f3cc563 --- /dev/null +++ b/tests/test_readers/data/agilent_csv/RAU-R505-02.D/rteres.txt @@ -0,0 +1,29 @@ + Area Percent Report + + Data Path : D:\MassHunter\GCMS\1\data\Elizabeth\B06\24.06.06\ + Data File : RAU-R505-2.D + Acq On : 06 Jun 2024 15:14 + Operator : Iris + Sample : RAU-R505-2 + Misc : + ALS Vial : 3 Sample Multiplier: 1 + + Integration Parameters: autoint1.e + Integrator: ChemStation + + Method : D:\MassHunter\GCMS\1\methods\Janis12min.M + Title : + + Signal : TIC: RAU-R505-2.D\data.ms + + peak R.T. first max last PK peak corr. corr. % of + # min scan scan scan TY height area % max. total + --- ----- ----- ---- ---- --- ------- ------- ------ ------- + 1 6.055 857 860 874 M 1855504 15074299 100.00% 58.032% + 2 6.302 898 903 909 M 1241405 9082279 60.25% 34.964% + 3 10.301 1591 1595 1607 M2 83356 1819337 12.07% 7.004% + + + Sum of corrected areas: 25975915 + +Janis12min.M Thu Jun 06 16:30:55 2024 diff --git a/tests/test_readers/data/agilent_csv/RAU-R505-02.D/runstart.txt b/tests/test_readers/data/agilent_csv/RAU-R505-02.D/runstart.txt new file mode 100644 index 0000000..3cb680f --- /dev/null +++ b/tests/test_readers/data/agilent_csv/RAU-R505-02.D/runstart.txt @@ -0,0 +1,64 @@ + Critical RunStart CP Variables + +CP Variable = Value + + Front Injector Available(_turretfrontavail) = 1 + Rear Injector Available(_turretrearavail) = 0 + Dual Injector Available(_turretdualavail) = 0 + + Injection Source(_injsource) = 1 1,2,3,4,5,6=ALS,Man,Valve,Ext.,PAL,HS,MiniTD + _injloc (_injloc) = 1 + MSD Sample(_msinlet) = 1 1,2=sample1=Front,sample2=Rear + + _ptavail : 1 _dopretreat : 0 _pretreatpath$ : D:\MassHunter\GCMS\1\PreTreat\ + _pretreatfile$ : _pretreatmeth$ : + + _Overlapped _overlap _ALSNEXT, _ALSNEXT2, _Lastlap 0 0 4 4 0 + +_overlapped: Is method currently overlapping? 0 +_overlap: Is hw capable of overlapping? 0 +_alsnext: Next vial front inlet? 4 +_lastlap: Indicator for last entry in SLT 0 + + _seqcheckbar: 0 On Mismatch, Inject Anyway + _seqcheckbarnext: 0 + Expected BCs : 2: + + Next Expected BCs : 2: + + Previous _checkbar : 0 + Previous _barmismatch: 0 + +_maxvial[] 1=150 2=0 3=0 + +Front Sample + + Alsbottle (_alsbottle) = 3 + Methfile (_methfile$) = Janis12min,1minsolventdelay.M + Datafile(,_datafile$) = RAU-R505-2.D + Sample Name (_dataname$) = RAU-R505-2 + Exp. Barcode(_expbarcode$)= + Miscellaneous (_miscinfo$) = + Vol. Override (_injvol) = 0 + Method Volume (_methvol) = 1 + SyringeVolume (_syrvol) = 10 + SyringeVolLow (_syrvollow) = 0 + Multiplier (_multiplr) = 1 + Sample Amt (_sampamt) = 0 + + +Rear Sample + + Alsbottle(_alsbottle2) = 0 + Datafile(_datafile2$) = RAU-R505-2.D + Sample Name(_dataname2$) = RAU-R505-2 + Exp. Barcode(_expbarcode2$) = + Miscellaneous(_miscinfo2$) = + Vol. Override(_injvol2) = 0 + Method Volume(_methvol2) = 0 + SyringeVolume(_syrvol2) = 0 + SyringeVolLow(_syrvollow2) = 0 + Multiplier(_multiplr2) = 1 + Sample Amt(_sampamt2) = 0 + +Thu Jun 06 15:06:10 2024 diff --git a/tests/test_readers/data/agilent_csv/RAU-R505-02.D/tic_front.csv b/tests/test_readers/data/agilent_csv/RAU-R505-02.D/tic_front.csv new file mode 100644 index 0000000..82657bd --- /dev/null +++ b/tests/test_readers/data/agilent_csv/RAU-R505-02.D/tic_front.csv @@ -0,0 +1,2014 @@ +D:\MassHunter\GCMS\1\data\Elizabeth\B06\24.06.06\RAU-R505-2.D 06 Jun 24 03:14 pm +Start of data points +1.093,28027790 +1.09877,27475576 +1.10455,26519870 +1.11032,25840428 +1.1161,25286174 +1.12187,24718548 +1.12765,24128180 +1.13342,23828898 +1.1392,23085648 +1.14498,22787550 +1.15075,22663068 +1.15653,27342878 +1.1623,667871 +1.16808,529392 +1.17385,469133 +1.17963,444109 +1.1854,498779 +1.19118,669723 +1.19695,976094 +1.20273,1340888 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+1,17 @@ + + + + 0 + WS-CZC83174R0 + system + 2024-06-06T15:28:03.9935277+02:00 + Data collection has been initiated. + + + 1 + WS-CZC83174R0 + system + 2024-06-06T15:49:49.8312998+02:00 + Data has been collected and saved. + + \ No newline at end of file diff --git a/tests/test_readers/data/agilent_csv/RAU-R505-03.D/AcqData/Contents.xml b/tests/test_readers/data/agilent_csv/RAU-R505-03.D/AcqData/Contents.xml new file mode 100644 index 0000000..f524afd --- /dev/null +++ b/tests/test_readers/data/agilent_csv/RAU-R505-03.D/AcqData/Contents.xml @@ -0,0 +1,17 @@ + + + 3 + + + 2024-06-06T15:37:07.0219805+02:00 + + 2 + 5977B MSD + + 0 + + 2 + + 2 + MassHunter GC/MS Acquisition B.07.06.2704 18-Jul-2017 Copyright © 1989-2017 Agilent Technologies, Inc. + \ No newline at end of file diff --git a/tests/test_readers/data/agilent_csv/RAU-R505-03.D/AcqData/Devices.xml b/tests/test_readers/data/agilent_csv/RAU-R505-03.D/AcqData/Devices.xml new file mode 100644 index 0000000..0b92837 --- /dev/null +++ b/tests/test_readers/data/agilent_csv/RAU-R505-03.D/AcqData/Devices.xml @@ -0,0 +1,16 @@ + + + 1 + + SingleQuadrupole + 7.6.0.0 + 6.00.34 + 5977 + 1 + US1827R022 + 2 + 8 + 0 + 1 + + \ No newline at end of file diff --git a/tests/test_readers/data/agilent_csv/RAU-R505-03.D/AcqData/Janis12min,1minsolventdelay.M/acq.ms b/tests/test_readers/data/agilent_csv/RAU-R505-03.D/AcqData/Janis12min,1minsolventdelay.M/acq.ms new file mode 100644 index 0000000..2fcdc23 --- /dev/null +++ b/tests/test_readers/data/agilent_csv/RAU-R505-03.D/AcqData/Janis12min,1minsolventdelay.M/acq.ms @@ -0,0 +1,146 @@ +[Signature] +ID=00000000000000000000000000000000 + +[Version] +ID=G1701CA Version: C.00.00 + +[General] +Type=6 +Inlet=0 +Start Mode=0 +Run Duration=39000 +Solvent Delay=1 +Tune File=ATUNE.U +Group Ions=1 +Acq Mode=0 +Gauges=2 +Fast Scan=0 +TID=0 +EMSaver=0 + +[Zone 1] +ID=1 +On=1 +Soft Max=200 +Set Point=150 +Type=0 + +[Zone 2] +ID=0 +On=1 +Soft Max=250 +Set Point=230 +Type=0 + +[Zone 3] +ID=-1 +On=0 +Soft Max=0 +Set Point=0 +Type=0 + +[Ions 1] +Group Name=OFN-272-LR +Start Time=4.2 +Resolution=1 +Plot Index 1=0 +Number of Ions=1 +Ion 1=272.00,50 +Group EMV Setting=10 +Use Group EMV Setting=true +IonL1= + +[Scan 1] +Start Time=1 +Low Mass=45 +High Mass=550 +Threshold=150 +Sampling=4 +Low Plot 1= +Low Plot 2= +High Plot 1= +High Plot 2= + +[Scan 2] + +[Scan 3] + +[Filters] +Mass Type=0 +Mass Param=0 +Mass Sigma=0 +Time Type=0 +Time Param=0 +Time Sigma=0 + +[Plot] +Plot Type 1=0 +Time Plot 1=0 +Min Plot 1=0 +Max Plot 1=0 +Left Plot 1=0.000000 +Top Plot 1=0.085653 +Width Plot 1=0.520196 +Height Plot 1=0.625268 +Mode Plot 1=2 +Plot Type 2=2 +Time Plot 2=0 +Min Plot 2=0 +Max Plot 2=0 +Left Plot 2=0.198286 +Top Plot 2=0.197002 +Width Plot 2=0.499388 +Height Plot 2=0.501071 +Mode Plot 2=2 +X Gadget Pos 1=5 +Y Gadget Pos 1=230 +X Gadget Pos 2=130 +Y Gadget Pos 2=230 +Low Mass 1=1.6 +High Mass 1=1050 +Plot Label 1= +Low Mass 2=1.6 +High Mass 2=1050 +Plot Label 2= + +[Gauge1] +Type=2 +ID=1 +Display Type=0 +Left Plot=380 +Top Plot=230 +Alarm Error=100.00 +Alarm Warning=100.00 +Alarm Minimum=0.00 +Alarm Set=0 + +[Gauge2] +Type=2 +ID=0 +Display Type=0 +Left Plot=255 +Top Plot=230 +Alarm Error=100.00 +Alarm Warning=100.00 +Alarm Minimum=0.00 +Alarm Set=0 + + +[Parameters] +ID 1=7 +Mode 1=2 +Value 1=1.000000 +ID 2=-1 +Mode 2=0 +Value 2=0.000000 +[Time Events] +Number Events=0 +[SCIS] +H2FlowRate=0.13 +Emission=10 +SourceTemperature=230 +QuadrupoleTemperature=150 +Duration=1.3 +StabilizationDuration=0.166666666666667 +Filament=2 +Mode=None diff --git a/tests/test_readers/data/agilent_csv/RAU-R505-03.D/AcqData/MSPeak.bin b/tests/test_readers/data/agilent_csv/RAU-R505-03.D/AcqData/MSPeak.bin new file mode 100644 index 0000000..38710d7 Binary files /dev/null and b/tests/test_readers/data/agilent_csv/RAU-R505-03.D/AcqData/MSPeak.bin differ diff --git a/tests/test_readers/data/agilent_csv/RAU-R505-03.D/AcqData/MSScan.bin b/tests/test_readers/data/agilent_csv/RAU-R505-03.D/AcqData/MSScan.bin new file mode 100644 index 0000000..c60b658 Binary files /dev/null and b/tests/test_readers/data/agilent_csv/RAU-R505-03.D/AcqData/MSScan.bin differ diff --git a/tests/test_readers/data/agilent_csv/RAU-R505-03.D/AcqData/MSScan.xsd b/tests/test_readers/data/agilent_csv/RAU-R505-03.D/AcqData/MSScan.xsd new file mode 100644 index 0000000..5157805 --- /dev/null +++ b/tests/test_readers/data/agilent_csv/RAU-R505-03.D/AcqData/MSScan.xsd @@ -0,0 +1,92 @@ + + + + + + + + MSScan binary file index record details + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + diff --git a/tests/test_readers/data/agilent_csv/RAU-R505-03.D/AcqData/MSTS.xml b/tests/test_readers/data/agilent_csv/RAU-R505-03.D/AcqData/MSTS.xml new file mode 100644 index 0000000..3de75d5 --- /dev/null +++ b/tests/test_readers/data/agilent_csv/RAU-R505-03.D/AcqData/MSTS.xml @@ -0,0 +1,14 @@ + + + 3 + + + 0 + + 650 + 2012 + + 0 + + 0 + \ No newline at end of file diff --git a/tests/test_readers/data/agilent_csv/RAU-R505-03.D/AcqData/sample_info.xml b/tests/test_readers/data/agilent_csv/RAU-R505-03.D/AcqData/sample_info.xml new file mode 100644 index 0000000..ed8d5fb --- /dev/null +++ b/tests/test_readers/data/agilent_csv/RAU-R505-03.D/AcqData/sample_info.xml @@ -0,0 +1,264 @@ + + 1.0 + + Dilution + Dilution + 1 + 8 + + + + + Inj Vol (µl) + Inj Vol (µl) + 1 + 8 + + + + + Wt/Vol + Wt/Vol + 0 + 8 + + + + + Sample ID + Sample ID + + + 8 + + + + + Sample Name + Sample Name + RAU-R505-3 + 8 + + + + + Sample Position + Sample Position + 4 + 8 + + + + + Sample Type + Sample Type + + + 8 + + + + + Data File + Data File + D:\MassHunter\GCMS\1\data\Elizabeth\B06\24.06.06\RAU-R505-3.D + 8 + + + + + Method + Method + D:\MassHunter\GCMS\1\methods\Janis12min,1minsolventdelay.M + 8 + + + + + Override DA Method + Override DA Method + + + 8 + + + + + Level Name + Level Name + + + 8 + + + + + Comment + Comment + + + 8 + + + + + Balance Override + Balance Override + + + 8 + + + + + Barcode + Barcode + + + 8 + + + + + Equilib Time (min) + Equilib Time (min) + 0 + 8 + + + + + Plate Code + Plate Code + + + 8 + + + + + Plate Position + Plate Position + + + 8 + + + + + Rack Code + Rack Code + + + 8 + + + + + Rack Position + Rack Position + + + 8 + + + + + 11490098722 + Expected Barcode + + + 8 + + + + + 2960492762 + Sample Amount + + + 8 + + + + + 3422928166 + Dual Inj Vol + 1 + 8 + + + + + 42124540172 + TuneName + ATUNE.U + 8 + + + + + 5120764382 + TunePath + D:\MassHunter\GCMS\1\5977\ + 8 + + + + + 6740952734 + TuneDateStamp + 2023-11-20T11:52:13+01:00 + 8 + + + + + 7803753 + MSFirmwareVersion + 6.00.34 + 8 + + + + + OperatorName + OperatorName + Iris + 8 + + + + + AcqTime + AcqTime + 2024-06-06T15:37:07.0219805+02:00 + 8 + + + + + SampleLockedRunMode + SampleLockedRunMode + False + 8 + + + + + RunCompletedFlag + RunCompletedFlag + True + 8 + + + + + InstrumentName + InstrumentName + 5977B MSD + 8 + + + + \ No newline at end of file diff --git a/tests/test_readers/data/agilent_csv/RAU-R505-03.D/AcqData/sequence.xml b/tests/test_readers/data/agilent_csv/RAU-R505-03.D/AcqData/sequence.xml new file mode 100644 index 0000000..3dec626 --- /dev/null +++ b/tests/test_readers/data/agilent_csv/RAU-R505-03.D/AcqData/sequence.xml @@ -0,0 +1,57 @@ + + + 0 + 0 + Janis12min,1minsolventdelay + D:\MassHunter\GCMS\1\methods\ + + false + + + + RAU-R505-3 + D:\MassHunter\GCMS\1\data\Elizabeth\B06\24.06.06\ + 1 + false + + 4 + 0 + 0 + + 1 + 1 + 5977B MSD + SingleQuadrupole + + + + + false + + 2 + + + + RAU-R505-3 + dummy + + + Sample + + None + None + None + None + + + + + + + + + + + 4 + + \ No newline at end of file diff --git a/tests/test_readers/data/agilent_csv/RAU-R505-03.D/GC.ini b/tests/test_readers/data/agilent_csv/RAU-R505-03.D/GC.ini new file mode 100644 index 0000000..2cd18ee --- /dev/null +++ b/tests/test_readers/data/agilent_csv/RAU-R505-03.D/GC.ini @@ -0,0 +1,284 @@ +[7890 DriverItem] +gc.fw=B.02.05.1 +gc.sn=CN18333156 +gc.ready=3 +gc.status=1 +ALS.fr.present=1 +ALS.fr.syringe=10 +ALS.fr.volume=1 +ALS.bk.present=0 +ALS.bk.syringe=-1.79769313486232E+308 +ALS.bk.volume=-1.79769313486232E+308 +ALS.tray.present=1 +ALS.bcr.present=0 +gc.runlength=12.7142857142857 +gc.runtime=12.713646866614 +gc.postrun=0 +gc.posttime=-1.79769313486232E+308 +gc.pressureunits=1 +Oven.T.state=1 +Oven.T.actual=254.5965104 +Oven.T.setpoint=30 +oven.T.ramp=30,30,4,35,300,1 +inlet.fr.T.state=1 +inlet.fr.T.actual=250.0470833 +inlet.fr.T.setpoint=250 +inlet.fr.column=1 +inlet.bk.T.state=-1.79769313486232E+308 +inlet.bk.T.actual=-1.79769313486232E+308 +inlet.bk.T.setpoint=-1.79769313486232E+308 +inlet.bk.column=-1.79769313486232E+308 +inlet.fr.gas=He +inlet.fr.p.actual=2377950 +inlet.fr.f.actual=21.69312868 +inlet.fr.mode=SPLIT +inlet.fr.splitratio=50 +inlet.bk.gas=!HW Item is not supported +inlet.bk.p.actual=-1.79769313486232E+308 +inlet.bk.f.actual=-1.79769313486232E+308 +inlet.bk.mode=!HW Item is not supported +inlet.bk.splitratio=-1.79769313486232E+308 +Column.1.F.actual=1.090401064 +Column.2.F.actual=1.5044272 +Column.3.F.actual=0 +Column.4.F.actual=0 +Column.5.F.actual=0 +Column.6.F.actual=0 +column.1.L=30 +column.1.D=0.00025 +column.1.t=2.5E-07 +column.1.max=325 +column.1.name=Agilent 19091S-433 +column.1.type=HP-5MS 5% Phenyl Methyl Silox +column.2.L=0.4 +column.2.D=0.0001 +column.2.t=0 +column.2.max=350 +column.2.name= +column.3.L=25 +column.3.D=0.00032 +column.3.t=0 +column.3.max=450 +column.3.name= +column.4.L=25 +column.4.D=0.00032 +column.4.t=0 +column.4.max=450 +column.4.name= +column.5.L=25 +column.5.D=0.00032 +column.5.t=0 +column.5.max=450 +column.5.name= +column.6.L=25 +column.6.D=0.00032 +column.6.t=0 +column.6.max=450 +column.6.name= +Column.1.description.Present=true +Column.1.description.NominalLength=30 +Column.1.description.NominalDiameter=0.00025 +Column.1.description.FilmThickness=2.5E-07 +Column.1.description.InletConnection=FRONT_INLET +Column.1.description.OutletConnection=AUX_PRESSURE_3 +Column.1.description.CalculatedLength=30 +Column.1.description.CalculatedDiameter=0.00025 +Column.1.description.CalibrationMode=UNCALIBRATED +Column.1.description.CalibrationDateTime=2000-01-02T00:00:00 +Column.1.description.ColumnMaxTemp=325 +Column.1.description.Name=Agilent 19091S-433 +Column.1.description.Type=HP-5MS 5% Phenyl Methyl Silox +Column.1.description.SerialNumber=93.92873 +Column.2.description.Present=true +Column.2.description.NominalLength=0.4 +Column.2.description.NominalDiameter=0.0001 +Column.2.description.FilmThickness=0 +Column.2.description.InletConnection=AUX_PRESSURE_3 +Column.2.description.OutletConnection=VACUUM +Column.2.description.CalculatedLength=0.4 +Column.2.description.CalculatedDiameter=0.0001 +Column.2.description.CalibrationMode=UNCALIBRATED +Column.2.description.CalibrationDateTime=2000-01-02T00:00:00 +Column.2.description.ColumnMaxTemp=350 +Column.2.description.Name= +Column.2.description.Type="" +Column.2.description.SerialNumber="" +Column.3.description.Present=true +Column.3.description.NominalLength=25 +Column.3.description.NominalDiameter=0.00032 +Column.3.description.FilmThickness=0 +Column.3.description.InletConnection=NONE +Column.3.description.OutletConnection=NONE +Column.3.description.CalculatedLength=25 +Column.3.description.CalculatedDiameter=0.00032 +Column.3.description.CalibrationMode=UNCALIBRATED +Column.3.description.CalibrationDateTime=2000-01-02T00:00:00 +Column.3.description.ColumnMaxTemp=450 +Column.3.description.Name= +Column.3.description.Type="" +Column.3.description.SerialNumber="" +Column.4.description.Present=true +Column.4.description.NominalLength=25 +Column.4.description.NominalDiameter=0.00032 +Column.4.description.FilmThickness=0 +Column.4.description.InletConnection=NONE +Column.4.description.OutletConnection=NONE +Column.4.description.CalculatedLength=25 +Column.4.description.CalculatedDiameter=0.00032 +Column.4.description.CalibrationMode=UNCALIBRATED +Column.4.description.CalibrationDateTime=2000-01-02T00:00:00 +Column.4.description.ColumnMaxTemp=450 +Column.4.description.Name= +Column.4.description.Type="" +Column.4.description.SerialNumber="" +Column.5.description.Present=true +Column.5.description.NominalLength=25 +Column.5.description.NominalDiameter=0.00032 +Column.5.description.FilmThickness=0 +Column.5.description.InletConnection=NONE +Column.5.description.OutletConnection=NONE +Column.5.description.CalculatedLength=25 +Column.5.description.CalculatedDiameter=0.00032 +Column.5.description.CalibrationMode=UNCALIBRATED +Column.5.description.CalibrationDateTime=2000-01-02T00:00:00 +Column.5.description.ColumnMaxTemp=450 +Column.5.description.Name= +Column.5.description.Type="" +Column.5.description.SerialNumber="" +Column.6.description.Present=true +Column.6.description.NominalLength=25 +Column.6.description.NominalDiameter=0.00032 +Column.6.description.FilmThickness=0 +Column.6.description.InletConnection=NONE +Column.6.description.OutletConnection=NONE +Column.6.description.CalculatedLength=25 +Column.6.description.CalculatedDiameter=0.00032 +Column.6.description.CalibrationMode=UNCALIBRATED +Column.6.description.CalibrationDateTime=2000-01-02T00:00:00 +Column.6.description.ColumnMaxTemp=450 +Column.6.description.Name= +Column.6.description.Type="" +Column.6.description.SerialNumber="" +det.fr.T.state=-1.79769313486232E+308 +det.fr.T.setpoint=-1.79769313486232E+308 +det.fr.T.actual=-1.79769313486232E+308 +det.fr.Signal.actual=-1.79769313486232E+308 +det.fr.Fuel.actual=-1.79769313486232E+308 +det.fr.Utility.actual=-1.79769313486232E+308 +det.fr.makeup.actual=-1.79769313486232E+308 +det.bk.T.state=-1.79769313486232E+308 +det.bk.T.setpoint=-1.79769313486232E+308 +det.bk.T.actual=-1.79769313486232E+308 +det.bk.Signal.actual=-1.79769313486232E+308 +det.bk.Fuel.actual=-1.79769313486232E+308 +det.bk.Utility.actual=-1.79769313486232E+308 +det.bk.makeup.actual=-1.79769313486232E+308 +det.aux.T.state=-1.79769313486232E+308 +det.aux.T.setpoint=-1.79769313486232E+308 +det.aux.T.actual=-1.79769313486232E+308 +det.aux.Signal.actual=-1.79769313486232E+308 +det.aux.Fuel.actual=-1.79769313486232E+308 +det.aux.Utility.actual=-1.79769313486232E+308 +det.aux.makeup.actual=-1.79769313486232E+308 +det.4th.T.state=-1.79769313486232E+308 +det.4th.T.setpoint=-1.79769313486232E+308 +det.4th.T.actual=-1.79769313486232E+308 +det.4th.Signal.actual=-1.79769313486232E+308 +det.4th.Fuel.actual=-1.79769313486232E+308 +det.4th.Utility.actual=-1.79769313486232E+308 +det.4th.makeup.actual=-1.79769313486232E+308 +AuxH.1.T.state=-1.79769313486232E+308 +AuxH.1.T.type=-1.79769313486232E+308 +AuxH.1.T.actual=-1.79769313486232E+308 +AuxH.1.T.setpoint=-1.79769313486232E+308 +AuxH.2.T.state=1 +AuxH.2.T.type=-1.79769313486232E+308 +AuxH.2.T.actual=280.1017122 +AuxH.2.T.setpoint=280 +AuxH.3.T.state=-1.79769313486232E+308 +AuxH.3.T.type=-1.79769313486232E+308 +AuxH.3.T.actual=-1.79769313486232E+308 +AuxH.3.T.setpoint=-1.79769313486232E+308 +rtlpressure=1377294.63663279 +rtlpressure.1=1377294.63663279 +rtlpressure.2=879395.685196652 +rtlpressure.3=-1.79769313486232E+308 +rtlpressure.4=-1.79769313486232E+308 +rtlpressure.5=-1.79769313486232E+308 +rtlpressure.6=-1.79769313486232E+308 +Valve.1.state=0 +Valve.2.state=0 +Valve.3.state=0 +Valve.4.state=0 +Valve.5.state=0 +Valve.6.state=0 +Valve.7.state=0 +Valve.8.state=0 +APC.1.A.P.actual=445096 +APC.1.B.P.actual=10662 +APC.1.C.P.actual=1433441 +APC.2.A.P.actual=-1.79769313486232E+308 +APC.2.B.P.actual=-1.79769313486232E+308 +APC.2.C.P.actual=-1.79769313486232E+308 +APC.3.A.P.actual=-1.79769313486232E+308 +APC.3.B.P.actual=-1.79769313486232E+308 +APC.3.C.P.actual=-1.79769313486232E+308 +APC.1.A.P.setpoint=689475.7 +APC.1.B.P.setpoint=689475.7 +APC.1.C.P.setpoint=879395.6852 +APC.2.A.P.setpoint=-1.79769313486232E+308 +APC.2.B.P.setpoint=-1.79769313486232E+308 +APC.2.C.P.setpoint=-1.79769313486232E+308 +APC.3.A.P.setpoint=-1.79769313486232E+308 +APC.3.B.P.setpoint=-1.79769313486232E+308 +APC.3.C.P.setpoint=-1.79769313486232E+308 +APC.1.A.gas=He +APC.1.B.gas=He +APC.1.C.gas=He +APC.2.A.gas=!HW Item is not supported +APC.2.B.gas=!HW Item is not supported +APC.2.C.gas=!HW Item is not supported +APC.3.A.gas=!HW Item is not supported +APC.3.B.gas=!HW Item is not supported +APC.3.C.gas=!HW Item is not supported +pcm.1.a.P.setpoint=-1.79769313486232E+308 +pcm.1.b.P.setpoint=-1.79769313486232E+308 +pcm.2.a.P.setpoint=-1.79769313486232E+308 +pcm.2.b.P.setpoint=-1.79769313486232E+308 +pcm.3.a.P.setpoint=-1.79769313486232E+308 +pcm.3.b.P.setpoint=-1.79769313486232E+308 +pcm.1.a.P.actual=-1.79769313486232E+308 +pcm.1.b.P.actual=-1.79769313486232E+308 +pcm.2.a.P.actual=-1.79769313486232E+308 +pcm.2.b.P.actual=-1.79769313486232E+308 +pcm.3.a.P.actual=-1.79769313486232E+308 +pcm.3.b.P.actual=-1.79769313486232E+308 +pcm.1.a.F.actual=-1.79769313486232E+308 +pcm.1.b.F.actual=-1.79769313486232E+308 +pcm.2.a.F.actual=-1.79769313486232E+308 +pcm.2.b.F.actual=-1.79769313486232E+308 +pcm.3.a.F.actual=-1.79769313486232E+308 +pcm.3.b.F.actual=-1.79769313486232E+308 +pcm.1.a.gas=-1.79769313486232E+308 +pcm.1.b.gas=-1.79769313486232E+308 +pcm.2.a.gas=-1.79769313486232E+308 +pcm.2.b.gas=-1.79769313486232E+308 +pcm.3.a.gas=-1.79769313486232E+308 +pcm.3.b.gas=-1.79769313486232E+308 +AuxP.1.P.actual=445114 +AuxP.2.P.actual=10678 +AuxP.3.P.actual=1415958 +AuxP.4.P.actual=-1.79769313486232E+308 +AuxP.5.P.actual=-1.79769313486232E+308 +AuxP.6.P.actual=-1.79769313486232E+308 +AuxP.7.P.actual=-1.79769313486232E+308 +AuxP.8.P.actual=-1.79769313486232E+308 +AuxP.9.P.actual=-1.79769313486232E+308 +Parameter name: APC.3.C.gas +Parameter name: APC.3.B.gas +Parameter name: APC.3.A.gas +Parameter name: APC.2.C.gas +Parameter name: APC.2.B.gas +Parameter name: APC.2.A.gas +Parameter name: inlet.bk.mode +Parameter name: inlet.bk.gas diff --git a/tests/test_readers/data/agilent_csv/RAU-R505-03.D/PRE_POST.INI b/tests/test_readers/data/agilent_csv/RAU-R505-03.D/PRE_POST.INI new file mode 100644 index 0000000..138250a --- /dev/null +++ b/tests/test_readers/data/agilent_csv/RAU-R505-03.D/PRE_POST.INI @@ -0,0 +1,115 @@ +[POSTRUN] +SOURCE=MS +Application=MassHunter GC/MS Acquisition B.07.06.2704 18-Jul-2017 Copyright © 1989-2017 Agilent Technologies, Inc. +Date=Thu Jun 06 15:49:52 2024 +SampleAmount=0 +Multiplier=1 +SmartCard=AGILENT TECHNOLOGIES,5977,US1827R022,6.00.34 +serial_n=US1827R022 +acqmode=0 +TuneName=ATUNE.U +TunePath=D:\MassHunter\GCMS\1\5977\ +TuneDate=20 Nov 2023 11:52 am +CImode=0 +CIpolarity=0 +SourceTemp=230 +QuadTemp=150 +Pressure=1.10E-05 +Matrix=1 +InitialAmt=1 +FinalAmt=1 +PrimaryFile=\data.ms +PrimaryType=hgfile +DataRecord=REV2:PARAFIT3 +SourceConf=101 +Observedm1=68.9963994372028 +Observedm2=218.954766989366 +Observedm3=502.003028423966 +Instrument Name=5977B MSD +controller=Top Sequence +timestamp=MS ChemStation +[Scan Parameters] +scanstart1=1 +lowmass1=45 +highmass1=550 +[TuneValues] +massgain=53 +massoffset=-26 +amugain=2335 +amuoffset=134.25 +dcpolarity=0 +emission=34.592541048648 +electron=70.0073246658121 +emvolts=1180.00366233291 +ACTUAL_EMVOLTS=1164.1 +GAIN FACTOR= 1.00 +entrance_lens=22.6722032242306 +filament=1 +ionfocus=90.3308509339519 +repeller=19.7593791966793 +entlensoffset=14.1102429495788 +[MS_Faults] +NUM_MS_Faults=0 +[firmware] +MSSC=6.00.34 +BSP=1.2/27.16T +HTTP=0.1 +LUI=04.32A.20160325 +[Type] +Type=1 +MHAcq=1 +[Sequence] +_methpath$=D:\MassHunter\GCMS\1\methods\ +_methfile$=Janis12min,1minsolventdelay.M +SeqFileName=D:\MassHunter\GCMS\1\sequence\IrisH.sequence.xml +[HW Config] +Smartcard=SC3.3 (SC33,40.0,32M,0K,64M,0x3722) +Sideboard=5975HI_SIDEBOARD +Log Amplifier=LOG02,121,54,2,CAL,y618051086 +Vacuum Pump=TURBO_PUMP +Vacuum Guage=HIVACGAUGE +CI Flow Control=NO_FCB +HES Driver PCA=SRC_PCA_TYPE_UNK +[Factors] +Mist=20 +Scan=NORM +A/Ds=16.00 +AVG.=1 +Samp=4 +Step=0.03 +Filter=Mass:ISTD +Qual=PARAFIT3 +SimSampPer=16 +Madly=800,9 +5975NoiseReduction=1 +5975EMSaver=-1 +LagFactors=-0.0285:8e-05:0 +tbyrst=40 +mbyrst=40 +tdomain=COEF,1.000000 +mdomain=-0.005964,-0.016017,0.008343,0.108516,0.247621 +[GainCoefficients] +Squared_=16.922441816685 +Linear__=48.3105062581599 +Constant=499.506255040877 +[Injection] +Tower=0 +F. SyringeVolume=10 +F. MethodVolume=1 +F. OverrideVolume=0 +R. SyringeVolume=0 +R. MethodVolume=0 +R. OverrideVolume=0 +Maxvial-1=150 +Maxvial-2=0 +Maxvial-3=0 +method specified sample prep= +[FC_VGauge] +CI=NO_FCB +Gauge=HIVACGAUGE +Pressure=1.1E-05 +[Compliance] +_iscompliant=0 +_isRandR=0 +_isSecureFS=0 +_isSecureRemoteFS=0 diff --git a/tests/test_readers/data/agilent_csv/RAU-R505-03.D/RESULTS.CSV b/tests/test_readers/data/agilent_csv/RAU-R505-03.D/RESULTS.CSV new file mode 100644 index 0000000..7386330 --- /dev/null +++ b/tests/test_readers/data/agilent_csv/RAU-R505-03.D/RESULTS.CSV @@ -0,0 +1,11 @@ +[contents] +count=1 +Name=,D:\MassHunter\GCMS\1\data\Elizabeth\B06\24.06.06\RAU-R505-3.D +1=,INT TIC: RAU-R505-3.D\data.ms +[INT TIC: RAU-R505-3.D\data.ms] +Time=,Thu Jun 06 16:31:17 2024 +Header=,"Peak","R.T.","First","Max","Last","PK TY","Height","Area","Pct Max","Pct Total" +1=, 1, 6.055, 855, 860, 875," M ",1822685, 14727243,100.00, 53.695 +2=, 2, 6.301, 899, 903, 913," M ",1155322, 9070851, 61.59, 33.072 +3=, 3, 10.166, 1570,1572,1575," M3", 6088, 74545, 0.51, 0.272 +4=, 4, 10.295, 1591,1594,1612," M ", 178009, 3554840, 24.14, 12.961 diff --git a/tests/test_readers/data/agilent_csv/RAU-R505-03.D/TEMPBASE b/tests/test_readers/data/agilent_csv/RAU-R505-03.D/TEMPBASE new file mode 100644 index 0000000..e69de29 diff --git a/tests/test_readers/data/agilent_csv/RAU-R505-03.D/acqmeth.txt b/tests/test_readers/data/agilent_csv/RAU-R505-03.D/acqmeth.txt new file mode 100644 index 0000000..58330cd Binary files /dev/null and b/tests/test_readers/data/agilent_csv/RAU-R505-03.D/acqmeth.txt differ diff --git a/tests/test_readers/data/agilent_csv/RAU-R505-03.D/checksum.xml b/tests/test_readers/data/agilent_csv/RAU-R505-03.D/checksum.xml new file mode 100644 index 0000000..e9b7f3c --- /dev/null +++ b/tests/test_readers/data/agilent_csv/RAU-R505-03.D/checksum.xml @@ -0,0 +1,7 @@ + + + +
+ 53-F6-2F-C9-36-07-F7-F5-10-24-49-06-A6-9F-E2-00-8B-DC-77-56-35-4B-5D-1E-78-96-8D-96-A2-0C-B2-FA-5D-94-BB-E8-99-36-8A-14-93-39-76-2A-38-9D-53-F1-92-9B-23-DD-74-3C-F7-1D-EB-81-6F-6C-F4-E7-3D-81 +
+ \ No newline at end of file diff --git a/tests/test_readers/data/agilent_csv/RAU-R505-03.D/data.ms b/tests/test_readers/data/agilent_csv/RAU-R505-03.D/data.ms new file mode 100644 index 0000000..74c64be Binary files /dev/null and b/tests/test_readers/data/agilent_csv/RAU-R505-03.D/data.ms differ diff --git a/tests/test_readers/data/agilent_csv/RAU-R505-03.D/rteres.txt b/tests/test_readers/data/agilent_csv/RAU-R505-03.D/rteres.txt new file mode 100644 index 0000000..775bcff --- /dev/null +++ b/tests/test_readers/data/agilent_csv/RAU-R505-03.D/rteres.txt @@ -0,0 +1,30 @@ + Area Percent Report + + Data Path : D:\MassHunter\GCMS\1\data\Elizabeth\B06\24.06.06\ + Data File : RAU-R505-3.D + Acq On : 06 Jun 2024 15:37 + Operator : Iris + Sample : RAU-R505-3 + Misc : + ALS Vial : 4 Sample Multiplier: 1 + + Integration Parameters: autoint1.e + Integrator: ChemStation + + Method : D:\MassHunter\GCMS\1\methods\Janis12min.M + Title : + + Signal : TIC: RAU-R505-3.D\data.ms + + peak R.T. first max last PK peak corr. corr. % of + # min scan scan scan TY height area % max. total + --- ----- ----- ---- ---- --- ------- ------- ------ ------- + 1 6.055 855 860 875 M 1822685 14727243 100.00% 53.695% + 2 6.301 899 903 913 M 1155322 9070851 61.59% 33.072% + 3 10.166 1570 1572 1575 M3 6088 74545 0.51% 0.272% + 4 10.295 1591 1594 1612 M 178009 3554840 24.14% 12.961% + + + Sum of corrected areas: 27427479 + +Janis12min.M Thu Jun 06 16:31:17 2024 diff --git a/tests/test_readers/data/agilent_csv/RAU-R505-03.D/runstart.txt b/tests/test_readers/data/agilent_csv/RAU-R505-03.D/runstart.txt new file mode 100644 index 0000000..fe5e00e --- /dev/null +++ b/tests/test_readers/data/agilent_csv/RAU-R505-03.D/runstart.txt @@ -0,0 +1,64 @@ + Critical RunStart CP Variables + +CP Variable = Value + + Front Injector Available(_turretfrontavail) = 1 + Rear Injector Available(_turretrearavail) = 0 + Dual Injector Available(_turretdualavail) = 0 + + Injection Source(_injsource) = 1 1,2,3,4,5,6=ALS,Man,Valve,Ext.,PAL,HS,MiniTD + _injloc (_injloc) = 1 + MSD Sample(_msinlet) = 1 1,2=sample1=Front,sample2=Rear + + _ptavail : 1 _dopretreat : 0 _pretreatpath$ : D:\MassHunter\GCMS\1\PreTreat\ + _pretreatfile$ : _pretreatmeth$ : + + _Overlapped _overlap _ALSNEXT, _ALSNEXT2, _Lastlap 0 0 5 5 0 + +_overlapped: Is method currently overlapping? 0 +_overlap: Is hw capable of overlapping? 0 +_alsnext: Next vial front inlet? 5 +_lastlap: Indicator for last entry in SLT 0 + + _seqcheckbar: 0 On Mismatch, Inject Anyway + _seqcheckbarnext: 0 + Expected BCs : 2: + + Next Expected BCs : 2: + + Previous _checkbar : 0 + Previous _barmismatch: 0 + +_maxvial[] 1=150 2=0 3=0 + +Front Sample + + Alsbottle (_alsbottle) = 4 + Methfile (_methfile$) = Janis12min,1minsolventdelay.M + Datafile(,_datafile$) = RAU-R505-3.D + Sample Name (_dataname$) = RAU-R505-3 + Exp. Barcode(_expbarcode$)= + Miscellaneous (_miscinfo$) = + Vol. Override (_injvol) = 0 + Method Volume (_methvol) = 1 + SyringeVolume (_syrvol) = 10 + SyringeVolLow (_syrvollow) = 0 + Multiplier (_multiplr) = 1 + Sample Amt (_sampamt) = 0 + + +Rear Sample + + Alsbottle(_alsbottle2) = 0 + Datafile(_datafile2$) = RAU-R505-3.D + Sample Name(_dataname2$) = RAU-R505-3 + Exp. Barcode(_expbarcode2$) = + Miscellaneous(_miscinfo2$) = + Vol. Override(_injvol2) = 0 + Method Volume(_methvol2) = 0 + SyringeVolume(_syrvol2) = 0 + SyringeVolLow(_syrvollow2) = 0 + Multiplier(_multiplr2) = 1 + Sample Amt(_sampamt2) = 0 + +Thu Jun 06 15:28:02 2024 diff --git a/tests/test_readers/data/agilent_csv/RAU-R505-03.D/tic_front.csv b/tests/test_readers/data/agilent_csv/RAU-R505-03.D/tic_front.csv new file mode 100644 index 0000000..7537bec --- /dev/null +++ b/tests/test_readers/data/agilent_csv/RAU-R505-03.D/tic_front.csv @@ -0,0 +1,2014 @@ +D:\MassHunter\GCMS\1\data\Elizabeth\B06\24.06.06\RAU-R505-3.D 06 Jun 24 03:37 pm +Start of data points +1.0931,28064748 +1.09887,27487352 +1.10465,26599964 +1.11042,25839498 +1.1162,25220892 +1.12197,24711264 +1.12775,24102710 +1.13352,23664890 +1.1393,23139616 +1.14507,22785806 +1.15085,22701000 +1.15662,27397086 +1.1624,595393 +1.16817,452678 +1.17395,389671 +1.17973,374172 +1.1855,439943 +1.19128,628140 +1.19705,957352 +1.20283,1302487 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collection has been initiated. + + + 1 + WS-CZC83174R0 + system + 2024-06-06T16:11:53.3049106+02:00 + Data has been collected and saved. + + \ No newline at end of file diff --git a/tests/test_readers/data/agilent_csv/RAU-R505-04.D/AcqData/Contents.xml b/tests/test_readers/data/agilent_csv/RAU-R505-04.D/AcqData/Contents.xml new file mode 100644 index 0000000..2ed02ce --- /dev/null +++ b/tests/test_readers/data/agilent_csv/RAU-R505-04.D/AcqData/Contents.xml @@ -0,0 +1,17 @@ + + + 3 + + + 2024-06-06T15:59:10.1084118+02:00 + + 2 + 5977B MSD + + 0 + + 2 + + 2 + MassHunter GC/MS Acquisition B.07.06.2704 18-Jul-2017 Copyright © 1989-2017 Agilent Technologies, Inc. + \ No newline at end of file diff --git a/tests/test_readers/data/agilent_csv/RAU-R505-04.D/AcqData/Devices.xml b/tests/test_readers/data/agilent_csv/RAU-R505-04.D/AcqData/Devices.xml new file mode 100644 index 0000000..0b92837 --- /dev/null +++ b/tests/test_readers/data/agilent_csv/RAU-R505-04.D/AcqData/Devices.xml @@ -0,0 +1,16 @@ + + + 1 + + SingleQuadrupole + 7.6.0.0 + 6.00.34 + 5977 + 1 + US1827R022 + 2 + 8 + 0 + 1 + + \ No newline at end of file diff --git a/tests/test_readers/data/agilent_csv/RAU-R505-04.D/AcqData/Janis12min,1minsolventdelay.M/acq.ms b/tests/test_readers/data/agilent_csv/RAU-R505-04.D/AcqData/Janis12min,1minsolventdelay.M/acq.ms new file mode 100644 index 0000000..2fcdc23 --- /dev/null +++ b/tests/test_readers/data/agilent_csv/RAU-R505-04.D/AcqData/Janis12min,1minsolventdelay.M/acq.ms @@ -0,0 +1,146 @@ +[Signature] +ID=00000000000000000000000000000000 + +[Version] +ID=G1701CA Version: C.00.00 + +[General] +Type=6 +Inlet=0 +Start Mode=0 +Run Duration=39000 +Solvent Delay=1 +Tune File=ATUNE.U +Group Ions=1 +Acq Mode=0 +Gauges=2 +Fast Scan=0 +TID=0 +EMSaver=0 + +[Zone 1] +ID=1 +On=1 +Soft Max=200 +Set Point=150 +Type=0 + +[Zone 2] +ID=0 +On=1 +Soft Max=250 +Set Point=230 +Type=0 + +[Zone 3] +ID=-1 +On=0 +Soft Max=0 +Set Point=0 +Type=0 + +[Ions 1] +Group Name=OFN-272-LR +Start Time=4.2 +Resolution=1 +Plot Index 1=0 +Number of Ions=1 +Ion 1=272.00,50 +Group EMV Setting=10 +Use Group EMV Setting=true +IonL1= + +[Scan 1] +Start Time=1 +Low Mass=45 +High Mass=550 +Threshold=150 +Sampling=4 +Low Plot 1= +Low Plot 2= +High Plot 1= +High Plot 2= + +[Scan 2] + +[Scan 3] + +[Filters] +Mass Type=0 +Mass Param=0 +Mass Sigma=0 +Time Type=0 +Time Param=0 +Time Sigma=0 + +[Plot] +Plot Type 1=0 +Time Plot 1=0 +Min Plot 1=0 +Max Plot 1=0 +Left Plot 1=0.000000 +Top Plot 1=0.085653 +Width Plot 1=0.520196 +Height Plot 1=0.625268 +Mode Plot 1=2 +Plot Type 2=2 +Time Plot 2=0 +Min Plot 2=0 +Max Plot 2=0 +Left Plot 2=0.198286 +Top Plot 2=0.197002 +Width Plot 2=0.499388 +Height Plot 2=0.501071 +Mode Plot 2=2 +X Gadget Pos 1=5 +Y Gadget Pos 1=230 +X Gadget Pos 2=130 +Y Gadget Pos 2=230 +Low Mass 1=1.6 +High Mass 1=1050 +Plot Label 1= +Low Mass 2=1.6 +High Mass 2=1050 +Plot Label 2= + +[Gauge1] +Type=2 +ID=1 +Display Type=0 +Left Plot=380 +Top Plot=230 +Alarm Error=100.00 +Alarm Warning=100.00 +Alarm Minimum=0.00 +Alarm Set=0 + +[Gauge2] +Type=2 +ID=0 +Display Type=0 +Left Plot=255 +Top Plot=230 +Alarm Error=100.00 +Alarm Warning=100.00 +Alarm Minimum=0.00 +Alarm Set=0 + + +[Parameters] +ID 1=7 +Mode 1=2 +Value 1=1.000000 +ID 2=-1 +Mode 2=0 +Value 2=0.000000 +[Time Events] +Number Events=0 +[SCIS] +H2FlowRate=0.13 +Emission=10 +SourceTemperature=230 +QuadrupoleTemperature=150 +Duration=1.3 +StabilizationDuration=0.166666666666667 +Filament=2 +Mode=None diff --git a/tests/test_readers/data/agilent_csv/RAU-R505-04.D/AcqData/MSPeak.bin b/tests/test_readers/data/agilent_csv/RAU-R505-04.D/AcqData/MSPeak.bin new file mode 100644 index 0000000..0f3fabd Binary files /dev/null and b/tests/test_readers/data/agilent_csv/RAU-R505-04.D/AcqData/MSPeak.bin differ diff --git a/tests/test_readers/data/agilent_csv/RAU-R505-04.D/AcqData/MSScan.bin b/tests/test_readers/data/agilent_csv/RAU-R505-04.D/AcqData/MSScan.bin new file mode 100644 index 0000000..81f986a Binary files /dev/null and b/tests/test_readers/data/agilent_csv/RAU-R505-04.D/AcqData/MSScan.bin differ diff --git a/tests/test_readers/data/agilent_csv/RAU-R505-04.D/AcqData/MSScan.xsd b/tests/test_readers/data/agilent_csv/RAU-R505-04.D/AcqData/MSScan.xsd new file mode 100644 index 0000000..5157805 --- /dev/null +++ b/tests/test_readers/data/agilent_csv/RAU-R505-04.D/AcqData/MSScan.xsd @@ -0,0 +1,92 @@ + + + + + + + + MSScan binary file index record details + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + diff --git a/tests/test_readers/data/agilent_csv/RAU-R505-04.D/AcqData/MSTS.xml b/tests/test_readers/data/agilent_csv/RAU-R505-04.D/AcqData/MSTS.xml new file mode 100644 index 0000000..3de75d5 --- /dev/null +++ b/tests/test_readers/data/agilent_csv/RAU-R505-04.D/AcqData/MSTS.xml @@ -0,0 +1,14 @@ + + + 3 + + + 0 + + 650 + 2012 + + 0 + + 0 + \ No newline at end of file diff --git a/tests/test_readers/data/agilent_csv/RAU-R505-04.D/AcqData/sample_info.xml b/tests/test_readers/data/agilent_csv/RAU-R505-04.D/AcqData/sample_info.xml new file mode 100644 index 0000000..78ec34c --- /dev/null +++ b/tests/test_readers/data/agilent_csv/RAU-R505-04.D/AcqData/sample_info.xml @@ -0,0 +1,264 @@ + + 1.0 + + Dilution + Dilution + 1 + 8 + + + + + Inj Vol (µl) + Inj Vol (µl) + 1 + 8 + + + + + Wt/Vol + Wt/Vol + 0 + 8 + + + + + Sample ID + Sample ID + + + 8 + + + + + Sample Name + Sample Name + RAU-R505-4 + 8 + + + + + Sample Position + Sample Position + 5 + 8 + + + + + Sample Type + Sample Type + + + 8 + + + + + Data File + Data File + D:\MassHunter\GCMS\1\data\Elizabeth\B06\24.06.06\RAU-R505-4.D + 8 + + + + + Method + Method + D:\MassHunter\GCMS\1\methods\Janis12min,1minsolventdelay.M + 8 + + + + + Override DA Method + Override DA Method + + + 8 + + + + + Level Name + Level Name + + + 8 + + + + + Comment + Comment + + + 8 + + + + + Balance Override + Balance Override + + + 8 + + + + + Barcode + Barcode + + + 8 + + + + + Equilib Time (min) + Equilib Time (min) + 0 + 8 + + + + + Plate Code + Plate Code + + + 8 + + + + + Plate Position + Plate Position + + + 8 + + + + + Rack Code + Rack Code + + + 8 + + + + + Rack Position + Rack Position + + + 8 + + + + + 141448811 + Expected Barcode + + + 8 + + + + + 2491530224 + Sample Amount + + + 8 + + + + + 3979515381 + Dual Inj Vol + 1 + 8 + + + + + 41568434657 + TuneName + ATUNE.U + 8 + + + + + 5796579251 + TunePath + D:\MassHunter\GCMS\1\5977\ + 8 + + + + + 61758915824 + TuneDateStamp + 2023-11-20T11:52:13+01:00 + 8 + + + + + 7752228539 + MSFirmwareVersion + 6.00.34 + 8 + + + + + OperatorName + OperatorName + Iris + 8 + + + + + AcqTime + AcqTime + 2024-06-06T15:59:10.1084118+02:00 + 8 + + + + + SampleLockedRunMode + SampleLockedRunMode + False + 8 + + + + + RunCompletedFlag + RunCompletedFlag + True + 8 + + + + + InstrumentName + InstrumentName + 5977B MSD + 8 + + + + \ No newline at end of file diff --git a/tests/test_readers/data/agilent_csv/RAU-R505-04.D/AcqData/sequence.xml b/tests/test_readers/data/agilent_csv/RAU-R505-04.D/AcqData/sequence.xml new file mode 100644 index 0000000..bddc294 --- /dev/null +++ b/tests/test_readers/data/agilent_csv/RAU-R505-04.D/AcqData/sequence.xml @@ -0,0 +1,57 @@ + + + 0 + 0 + Janis12min,1minsolventdelay + D:\MassHunter\GCMS\1\methods\ + + false + + + + RAU-R505-4 + D:\MassHunter\GCMS\1\data\Elizabeth\B06\24.06.06\ + 1 + false + + 5 + 0 + 0 + + 1 + 1 + 5977B MSD + SingleQuadrupole + + + + + false + + 2 + + + + RAU-R505-4 + dummy + + + Sample + + None + None + None + None + + + + + + + + + + + 5 + + \ No newline at end of file diff --git a/tests/test_readers/data/agilent_csv/RAU-R505-04.D/GC.ini b/tests/test_readers/data/agilent_csv/RAU-R505-04.D/GC.ini new file mode 100644 index 0000000..adc1de9 --- /dev/null +++ b/tests/test_readers/data/agilent_csv/RAU-R505-04.D/GC.ini @@ -0,0 +1,284 @@ +[7890 DriverItem] +gc.fw=B.02.05.1 +gc.sn=CN18333156 +gc.ready=3 +gc.status=1 +ALS.fr.present=1 +ALS.fr.syringe=10 +ALS.fr.volume=1 +ALS.bk.present=0 +ALS.bk.syringe=-1.79769313486232E+308 +ALS.bk.volume=-1.79769313486232E+308 +ALS.tray.present=1 +ALS.bcr.present=0 +gc.runlength=12.7142857142857 +gc.runtime=12.7136395666748 +gc.postrun=0 +gc.posttime=-1.79769313486232E+308 +gc.pressureunits=1 +Oven.T.state=1 +Oven.T.actual=260.2732262 +Oven.T.setpoint=30 +oven.T.ramp=30,30,4,35,300,1 +inlet.fr.T.state=1 +inlet.fr.T.actual=250.0500273 +inlet.fr.T.setpoint=250 +inlet.fr.column=1 +inlet.bk.T.state=-1.79769313486232E+308 +inlet.bk.T.actual=-1.79769313486232E+308 +inlet.bk.T.setpoint=-1.79769313486232E+308 +inlet.bk.column=-1.79769313486232E+308 +inlet.fr.gas=He +inlet.fr.p.actual=2533448 +inlet.fr.f.actual=1.129257784 +inlet.fr.mode=SPLIT +inlet.fr.splitratio=50 +inlet.bk.gas=!HW Item is not supported +inlet.bk.p.actual=-1.79769313486232E+308 +inlet.bk.f.actual=-1.79769313486232E+308 +inlet.bk.mode=!HW Item is not supported +inlet.bk.splitratio=-1.79769313486232E+308 +Column.1.F.actual=1.131767572 +Column.2.F.actual=1.505589507 +Column.3.F.actual=0 +Column.4.F.actual=0 +Column.5.F.actual=0 +Column.6.F.actual=0 +column.1.L=30 +column.1.D=0.00025 +column.1.t=2.5E-07 +column.1.max=325 +column.1.name=Agilent 19091S-433 +column.1.type=HP-5MS 5% Phenyl Methyl Silox +column.2.L=0.4 +column.2.D=0.0001 +column.2.t=0 +column.2.max=350 +column.2.name= +column.3.L=25 +column.3.D=0.00032 +column.3.t=0 +column.3.max=450 +column.3.name= +column.4.L=25 +column.4.D=0.00032 +column.4.t=0 +column.4.max=450 +column.4.name= +column.5.L=25 +column.5.D=0.00032 +column.5.t=0 +column.5.max=450 +column.5.name= +column.6.L=25 +column.6.D=0.00032 +column.6.t=0 +column.6.max=450 +column.6.name= +Column.1.description.Present=true +Column.1.description.NominalLength=30 +Column.1.description.NominalDiameter=0.00025 +Column.1.description.FilmThickness=2.5E-07 +Column.1.description.InletConnection=FRONT_INLET +Column.1.description.OutletConnection=AUX_PRESSURE_3 +Column.1.description.CalculatedLength=30 +Column.1.description.CalculatedDiameter=0.00025 +Column.1.description.CalibrationMode=UNCALIBRATED +Column.1.description.CalibrationDateTime=2000-01-02T00:00:00 +Column.1.description.ColumnMaxTemp=325 +Column.1.description.Name=Agilent 19091S-433 +Column.1.description.Type=HP-5MS 5% Phenyl Methyl Silox +Column.1.description.SerialNumber=93.92873 +Column.2.description.Present=true +Column.2.description.NominalLength=0.4 +Column.2.description.NominalDiameter=0.0001 +Column.2.description.FilmThickness=0 +Column.2.description.InletConnection=AUX_PRESSURE_3 +Column.2.description.OutletConnection=VACUUM +Column.2.description.CalculatedLength=0.4 +Column.2.description.CalculatedDiameter=0.0001 +Column.2.description.CalibrationMode=UNCALIBRATED +Column.2.description.CalibrationDateTime=2000-01-02T00:00:00 +Column.2.description.ColumnMaxTemp=350 +Column.2.description.Name= +Column.2.description.Type="" +Column.2.description.SerialNumber="" +Column.3.description.Present=true +Column.3.description.NominalLength=25 +Column.3.description.NominalDiameter=0.00032 +Column.3.description.FilmThickness=0 +Column.3.description.InletConnection=NONE +Column.3.description.OutletConnection=NONE +Column.3.description.CalculatedLength=25 +Column.3.description.CalculatedDiameter=0.00032 +Column.3.description.CalibrationMode=UNCALIBRATED +Column.3.description.CalibrationDateTime=2000-01-02T00:00:00 +Column.3.description.ColumnMaxTemp=450 +Column.3.description.Name= +Column.3.description.Type="" +Column.3.description.SerialNumber="" +Column.4.description.Present=true +Column.4.description.NominalLength=25 +Column.4.description.NominalDiameter=0.00032 +Column.4.description.FilmThickness=0 +Column.4.description.InletConnection=NONE +Column.4.description.OutletConnection=NONE +Column.4.description.CalculatedLength=25 +Column.4.description.CalculatedDiameter=0.00032 +Column.4.description.CalibrationMode=UNCALIBRATED +Column.4.description.CalibrationDateTime=2000-01-02T00:00:00 +Column.4.description.ColumnMaxTemp=450 +Column.4.description.Name= +Column.4.description.Type="" +Column.4.description.SerialNumber="" +Column.5.description.Present=true +Column.5.description.NominalLength=25 +Column.5.description.NominalDiameter=0.00032 +Column.5.description.FilmThickness=0 +Column.5.description.InletConnection=NONE +Column.5.description.OutletConnection=NONE +Column.5.description.CalculatedLength=25 +Column.5.description.CalculatedDiameter=0.00032 +Column.5.description.CalibrationMode=UNCALIBRATED +Column.5.description.CalibrationDateTime=2000-01-02T00:00:00 +Column.5.description.ColumnMaxTemp=450 +Column.5.description.Name= +Column.5.description.Type="" +Column.5.description.SerialNumber="" +Column.6.description.Present=true +Column.6.description.NominalLength=25 +Column.6.description.NominalDiameter=0.00032 +Column.6.description.FilmThickness=0 +Column.6.description.InletConnection=NONE +Column.6.description.OutletConnection=NONE +Column.6.description.CalculatedLength=25 +Column.6.description.CalculatedDiameter=0.00032 +Column.6.description.CalibrationMode=UNCALIBRATED +Column.6.description.CalibrationDateTime=2000-01-02T00:00:00 +Column.6.description.ColumnMaxTemp=450 +Column.6.description.Name= +Column.6.description.Type="" +Column.6.description.SerialNumber="" +det.fr.T.state=-1.79769313486232E+308 +det.fr.T.setpoint=-1.79769313486232E+308 +det.fr.T.actual=-1.79769313486232E+308 +det.fr.Signal.actual=-1.79769313486232E+308 +det.fr.Fuel.actual=-1.79769313486232E+308 +det.fr.Utility.actual=-1.79769313486232E+308 +det.fr.makeup.actual=-1.79769313486232E+308 +det.bk.T.state=-1.79769313486232E+308 +det.bk.T.setpoint=-1.79769313486232E+308 +det.bk.T.actual=-1.79769313486232E+308 +det.bk.Signal.actual=-1.79769313486232E+308 +det.bk.Fuel.actual=-1.79769313486232E+308 +det.bk.Utility.actual=-1.79769313486232E+308 +det.bk.makeup.actual=-1.79769313486232E+308 +det.aux.T.state=-1.79769313486232E+308 +det.aux.T.setpoint=-1.79769313486232E+308 +det.aux.T.actual=-1.79769313486232E+308 +det.aux.Signal.actual=-1.79769313486232E+308 +det.aux.Fuel.actual=-1.79769313486232E+308 +det.aux.Utility.actual=-1.79769313486232E+308 +det.aux.makeup.actual=-1.79769313486232E+308 +det.4th.T.state=-1.79769313486232E+308 +det.4th.T.setpoint=-1.79769313486232E+308 +det.4th.T.actual=-1.79769313486232E+308 +det.4th.Signal.actual=-1.79769313486232E+308 +det.4th.Fuel.actual=-1.79769313486232E+308 +det.4th.Utility.actual=-1.79769313486232E+308 +det.4th.makeup.actual=-1.79769313486232E+308 +AuxH.1.T.state=-1.79769313486232E+308 +AuxH.1.T.type=-1.79769313486232E+308 +AuxH.1.T.actual=-1.79769313486232E+308 +AuxH.1.T.setpoint=-1.79769313486232E+308 +AuxH.2.T.state=1 +AuxH.2.T.type=-1.79769313486232E+308 +AuxH.2.T.actual=280.0811742 +AuxH.2.T.setpoint=280 +AuxH.3.T.state=-1.79769313486232E+308 +AuxH.3.T.type=-1.79769313486232E+308 +AuxH.3.T.actual=-1.79769313486232E+308 +AuxH.3.T.setpoint=-1.79769313486232E+308 +rtlpressure=1377294.63663279 +rtlpressure.1=1377294.63663279 +rtlpressure.2=879395.685196652 +rtlpressure.3=-1.79769313486232E+308 +rtlpressure.4=-1.79769313486232E+308 +rtlpressure.5=-1.79769313486232E+308 +rtlpressure.6=-1.79769313486232E+308 +Valve.1.state=0 +Valve.2.state=0 +Valve.3.state=0 +Valve.4.state=0 +Valve.5.state=0 +Valve.6.state=0 +Valve.7.state=0 +Valve.8.state=0 +APC.1.A.P.actual=445626 +APC.1.B.P.actual=11249 +APC.1.C.P.actual=1445731 +APC.2.A.P.actual=-1.79769313486232E+308 +APC.2.B.P.actual=-1.79769313486232E+308 +APC.2.C.P.actual=-1.79769313486232E+308 +APC.3.A.P.actual=-1.79769313486232E+308 +APC.3.B.P.actual=-1.79769313486232E+308 +APC.3.C.P.actual=-1.79769313486232E+308 +APC.1.A.P.setpoint=689475.7 +APC.1.B.P.setpoint=689475.7 +APC.1.C.P.setpoint=879395.6852 +APC.2.A.P.setpoint=-1.79769313486232E+308 +APC.2.B.P.setpoint=-1.79769313486232E+308 +APC.2.C.P.setpoint=-1.79769313486232E+308 +APC.3.A.P.setpoint=-1.79769313486232E+308 +APC.3.B.P.setpoint=-1.79769313486232E+308 +APC.3.C.P.setpoint=-1.79769313486232E+308 +APC.1.A.gas=He +APC.1.B.gas=He +APC.1.C.gas=He +APC.2.A.gas=!HW Item is not supported +APC.2.B.gas=!HW Item is not supported +APC.2.C.gas=!HW Item is not supported +APC.3.A.gas=!HW Item is not supported +APC.3.B.gas=!HW Item is not supported +APC.3.C.gas=!HW Item is not supported +pcm.1.a.P.setpoint=-1.79769313486232E+308 +pcm.1.b.P.setpoint=-1.79769313486232E+308 +pcm.2.a.P.setpoint=-1.79769313486232E+308 +pcm.2.b.P.setpoint=-1.79769313486232E+308 +pcm.3.a.P.setpoint=-1.79769313486232E+308 +pcm.3.b.P.setpoint=-1.79769313486232E+308 +pcm.1.a.P.actual=-1.79769313486232E+308 +pcm.1.b.P.actual=-1.79769313486232E+308 +pcm.2.a.P.actual=-1.79769313486232E+308 +pcm.2.b.P.actual=-1.79769313486232E+308 +pcm.3.a.P.actual=-1.79769313486232E+308 +pcm.3.b.P.actual=-1.79769313486232E+308 +pcm.1.a.F.actual=-1.79769313486232E+308 +pcm.1.b.F.actual=-1.79769313486232E+308 +pcm.2.a.F.actual=-1.79769313486232E+308 +pcm.2.b.F.actual=-1.79769313486232E+308 +pcm.3.a.F.actual=-1.79769313486232E+308 +pcm.3.b.F.actual=-1.79769313486232E+308 +pcm.1.a.gas=-1.79769313486232E+308 +pcm.1.b.gas=-1.79769313486232E+308 +pcm.2.a.gas=-1.79769313486232E+308 +pcm.2.b.gas=-1.79769313486232E+308 +pcm.3.a.gas=-1.79769313486232E+308 +pcm.3.b.gas=-1.79769313486232E+308 +AuxP.1.P.actual=445663 +AuxP.2.P.actual=11186 +AuxP.3.P.actual=1426785 +AuxP.4.P.actual=-1.79769313486232E+308 +AuxP.5.P.actual=-1.79769313486232E+308 +AuxP.6.P.actual=-1.79769313486232E+308 +AuxP.7.P.actual=-1.79769313486232E+308 +AuxP.8.P.actual=-1.79769313486232E+308 +AuxP.9.P.actual=-1.79769313486232E+308 +Parameter name: APC.3.C.gas +Parameter name: APC.3.B.gas +Parameter name: APC.3.A.gas +Parameter name: APC.2.C.gas +Parameter name: APC.2.B.gas +Parameter name: APC.2.A.gas +Parameter name: inlet.bk.mode +Parameter name: inlet.bk.gas diff --git a/tests/test_readers/data/agilent_csv/RAU-R505-04.D/PRE_POST.INI b/tests/test_readers/data/agilent_csv/RAU-R505-04.D/PRE_POST.INI new file mode 100644 index 0000000..63cb69e --- /dev/null +++ b/tests/test_readers/data/agilent_csv/RAU-R505-04.D/PRE_POST.INI @@ -0,0 +1,115 @@ +[POSTRUN] +SOURCE=MS +Application=MassHunter GC/MS Acquisition B.07.06.2704 18-Jul-2017 Copyright © 1989-2017 Agilent Technologies, Inc. +Date=Thu Jun 06 16:11:55 2024 +SampleAmount=0 +Multiplier=1 +SmartCard=AGILENT TECHNOLOGIES,5977,US1827R022,6.00.34 +serial_n=US1827R022 +acqmode=0 +TuneName=ATUNE.U +TunePath=D:\MassHunter\GCMS\1\5977\ +TuneDate=20 Nov 2023 11:52 am +CImode=0 +CIpolarity=0 +SourceTemp=230 +QuadTemp=150 +Pressure=1.09E-05 +Matrix=1 +InitialAmt=1 +FinalAmt=1 +PrimaryFile=\data.ms +PrimaryType=hgfile +DataRecord=REV2:PARAFIT3 +SourceConf=101 +Observedm1=68.9963994372028 +Observedm2=218.954766989366 +Observedm3=502.003028423966 +Instrument Name=5977B MSD +controller=Top Sequence +timestamp=MS ChemStation +[Scan Parameters] +scanstart1=1 +lowmass1=45 +highmass1=550 +[TuneValues] +massgain=53 +massoffset=-26 +amugain=2335 +amuoffset=134.25 +dcpolarity=0 +emission=34.592541048648 +electron=70.0073246658121 +emvolts=1180.00366233291 +ACTUAL_EMVOLTS=1164.1 +GAIN FACTOR= 1.00 +entrance_lens=22.6722032242306 +filament=1 +ionfocus=90.3308509339519 +repeller=19.7593791966793 +entlensoffset=14.1102429495788 +[MS_Faults] +NUM_MS_Faults=0 +[firmware] +MSSC=6.00.34 +BSP=1.2/27.16T +HTTP=0.1 +LUI=04.32A.20160325 +[Type] +Type=1 +MHAcq=1 +[Sequence] +_methpath$=D:\MassHunter\GCMS\1\methods\ +_methfile$=Janis12min,1minsolventdelay.M +SeqFileName=D:\MassHunter\GCMS\1\sequence\IrisH.sequence.xml +[HW Config] +Smartcard=SC3.3 (SC33,40.0,32M,0K,64M,0x3722) +Sideboard=5975HI_SIDEBOARD +Log Amplifier=LOG02,121,54,2,CAL,y618051086 +Vacuum Pump=TURBO_PUMP +Vacuum Guage=HIVACGAUGE +CI Flow Control=NO_FCB +HES Driver PCA=SRC_PCA_TYPE_UNK +[Factors] +Mist=20 +Scan=NORM +A/Ds=16.00 +AVG.=1 +Samp=4 +Step=0.03 +Filter=Mass:ISTD +Qual=PARAFIT3 +SimSampPer=16 +Madly=800,9 +5975NoiseReduction=1 +5975EMSaver=-1 +LagFactors=-0.0285:8e-05:0 +tbyrst=40 +mbyrst=40 +tdomain=COEF,1.000000 +mdomain=-0.005964,-0.016017,0.008343,0.108516,0.247621 +[GainCoefficients] +Squared_=16.922441816685 +Linear__=48.3105062581599 +Constant=499.506255040877 +[Injection] +Tower=0 +F. SyringeVolume=10 +F. MethodVolume=1 +F. OverrideVolume=0 +R. SyringeVolume=0 +R. MethodVolume=0 +R. OverrideVolume=0 +Maxvial-1=150 +Maxvial-2=0 +Maxvial-3=0 +method specified sample prep= +[FC_VGauge] +CI=NO_FCB +Gauge=HIVACGAUGE +Pressure=1.1E-05 +[Compliance] +_iscompliant=0 +_isRandR=0 +_isSecureFS=0 +_isSecureRemoteFS=0 diff --git a/tests/test_readers/data/agilent_csv/RAU-R505-04.D/RESULTS.CSV b/tests/test_readers/data/agilent_csv/RAU-R505-04.D/RESULTS.CSV new file mode 100644 index 0000000..6486bbc --- /dev/null +++ b/tests/test_readers/data/agilent_csv/RAU-R505-04.D/RESULTS.CSV @@ -0,0 +1,11 @@ +[contents] +count=1 +Name=,D:\MassHunter\GCMS\1\data\Elizabeth\B06\24.06.06\RAU-R505-4.D +1=,INT TIC: RAU-R505-4.D\data.ms +[INT TIC: RAU-R505-4.D\data.ms] +Time=,Thu Jun 06 16:31:58 2024 +Header=,"Peak","R.T.","First","Max","Last","PK TY","Height","Area","Pct Max","Pct Total" +1=, 1, 6.055, 857, 860, 871," M ",1765430, 14248182,100.00, 50.147 +2=, 2, 6.301, 899, 903, 909," M ",1187211, 9005906, 63.21, 31.696 +3=, 3, 10.162, 1569,1571,1574," M2", 10448, 93302, 0.65, 0.328 +4=, 4, 10.292, 1591,1594,1607," M ", 310533, 5065576, 35.55, 17.828 diff --git a/tests/test_readers/data/agilent_csv/RAU-R505-04.D/TEMPBASE b/tests/test_readers/data/agilent_csv/RAU-R505-04.D/TEMPBASE new file mode 100644 index 0000000..e69de29 diff --git a/tests/test_readers/data/agilent_csv/RAU-R505-04.D/acqmeth.txt b/tests/test_readers/data/agilent_csv/RAU-R505-04.D/acqmeth.txt new file mode 100644 index 0000000..6bc7eca Binary files /dev/null and b/tests/test_readers/data/agilent_csv/RAU-R505-04.D/acqmeth.txt differ diff --git a/tests/test_readers/data/agilent_csv/RAU-R505-04.D/checksum.xml b/tests/test_readers/data/agilent_csv/RAU-R505-04.D/checksum.xml new file mode 100644 index 0000000..a6486a1 --- /dev/null +++ b/tests/test_readers/data/agilent_csv/RAU-R505-04.D/checksum.xml @@ -0,0 +1,7 @@ + + + +
+ A6-0D-5B-E4-43-10-AA-82-05-F5-30-72-3E-4F-62-2C-A3-AD-6A-1E-C6-C2-33-B7-D4-F2-D9-2D-03-51-58-E9-40-78-CC-2D-5F-62-D8-2B-CA-DE-8F-82-D6-2C-B6-2A-3D-F1-7C-F2-72-98-89-CC-53-11-56-A8-6C-92-70-2D +
+ \ No newline at end of file diff --git a/tests/test_readers/data/agilent_csv/RAU-R505-04.D/data.ms b/tests/test_readers/data/agilent_csv/RAU-R505-04.D/data.ms new file mode 100644 index 0000000..9241d60 Binary files /dev/null and b/tests/test_readers/data/agilent_csv/RAU-R505-04.D/data.ms differ diff --git a/tests/test_readers/data/agilent_csv/RAU-R505-04.D/rteres.txt b/tests/test_readers/data/agilent_csv/RAU-R505-04.D/rteres.txt new file mode 100644 index 0000000..82a777b --- /dev/null +++ b/tests/test_readers/data/agilent_csv/RAU-R505-04.D/rteres.txt @@ -0,0 +1,30 @@ + Area Percent Report + + Data Path : D:\MassHunter\GCMS\1\data\Elizabeth\B06\24.06.06\ + Data File : RAU-R505-4.D + Acq On : 06 Jun 2024 15:59 + Operator : Iris + Sample : RAU-R505-4 + Misc : + ALS Vial : 5 Sample Multiplier: 1 + + Integration Parameters: autoint1.e + Integrator: ChemStation + + Method : D:\MassHunter\GCMS\1\methods\Janis12min.M + Title : + + Signal : TIC: RAU-R505-4.D\data.ms + + peak R.T. first max last PK peak corr. corr. % of + # min scan scan scan TY height area % max. total + --- ----- ----- ---- ---- --- ------- ------- ------ ------- + 1 6.055 857 860 871 M 1765430 14248182 100.00% 50.147% + 2 6.301 899 903 909 M 1187211 9005906 63.21% 31.696% + 3 10.162 1569 1571 1574 M2 10448 93302 0.65% 0.328% + 4 10.292 1591 1594 1607 M 310533 5065576 35.55% 17.828% + + + Sum of corrected areas: 28412968 + +Janis12min.M Thu Jun 06 16:31:58 2024 diff --git a/tests/test_readers/data/agilent_csv/RAU-R505-04.D/runstart.txt b/tests/test_readers/data/agilent_csv/RAU-R505-04.D/runstart.txt new file mode 100644 index 0000000..3564930 --- /dev/null +++ b/tests/test_readers/data/agilent_csv/RAU-R505-04.D/runstart.txt @@ -0,0 +1,64 @@ + Critical RunStart CP Variables + +CP Variable = Value + + Front Injector Available(_turretfrontavail) = 1 + Rear Injector Available(_turretrearavail) = 0 + Dual Injector Available(_turretdualavail) = 0 + + Injection Source(_injsource) = 1 1,2,3,4,5,6=ALS,Man,Valve,Ext.,PAL,HS,MiniTD + _injloc (_injloc) = 1 + MSD Sample(_msinlet) = 1 1,2=sample1=Front,sample2=Rear + + _ptavail : 1 _dopretreat : 0 _pretreatpath$ : D:\MassHunter\GCMS\1\PreTreat\ + _pretreatfile$ : _pretreatmeth$ : + + _Overlapped _overlap _ALSNEXT, _ALSNEXT2, _Lastlap 0 0 6 6 0 + +_overlapped: Is method currently overlapping? 0 +_overlap: Is hw capable of overlapping? 0 +_alsnext: Next vial front inlet? 6 +_lastlap: Indicator for last entry in SLT 0 + + _seqcheckbar: 0 On Mismatch, Inject Anyway + _seqcheckbarnext: 0 + Expected BCs : 2: + + Next Expected BCs : 2: + + Previous _checkbar : 0 + Previous _barmismatch: 0 + +_maxvial[] 1=150 2=0 3=0 + +Front Sample + + Alsbottle (_alsbottle) = 5 + Methfile (_methfile$) = Janis12min,1minsolventdelay.M + Datafile(,_datafile$) = RAU-R505-4.D + Sample Name (_dataname$) = RAU-R505-4 + Exp. Barcode(_expbarcode$)= + Miscellaneous (_miscinfo$) = + Vol. Override (_injvol) = 0 + Method Volume (_methvol) = 1 + SyringeVolume (_syrvol) = 10 + SyringeVolLow (_syrvollow) = 0 + Multiplier (_multiplr) = 1 + Sample Amt (_sampamt) = 0 + + +Rear Sample + + Alsbottle(_alsbottle2) = 0 + Datafile(_datafile2$) = RAU-R505-4.D + Sample Name(_dataname2$) = RAU-R505-4 + Exp. Barcode(_expbarcode2$) = + Miscellaneous(_miscinfo2$) = + Vol. Override(_injvol2) = 0 + Method Volume(_methvol2) = 0 + SyringeVolume(_syrvol2) = 0 + SyringeVolLow(_syrvollow2) = 0 + Multiplier(_multiplr2) = 1 + Sample Amt(_sampamt2) = 0 + +Thu Jun 06 15:50:09 2024 diff --git a/tests/test_readers/data/agilent_csv/RAU-R505-04.D/tic_front.csv b/tests/test_readers/data/agilent_csv/RAU-R505-04.D/tic_front.csv new file mode 100644 index 0000000..d8d629e --- /dev/null +++ b/tests/test_readers/data/agilent_csv/RAU-R505-04.D/tic_front.csv @@ -0,0 +1,2014 @@ +D:\MassHunter\GCMS\1\data\Elizabeth\B06\24.06.06\RAU-R505-4.D 06 Jun 24 03:59 pm +Start of data points +1.09285,27875906 +1.09863,27468998 +1.1044,26539408 +1.11018,25833108 +1.11597,25302056 +1.12173,24608558 +1.12752,24067128 +1.13328,23631028 +1.13907,23275120 +1.14483,22723570 +1.15062,22126202 +1.15638,27644060 +1.16217,674576 +1.16793,519897 +1.17372,463548 +1.17948,452230 +1.18527,521450 +1.19103,699015 +1.19682,1015011 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100644 index 0000000..969bc3f --- /dev/null +++ b/tests/test_readers/data/agilent_csv/RAU-R505-05.D/AcqData-CumulativeAuditTrail.xml @@ -0,0 +1,17 @@ + + + + 0 + WS-CZC83174R0 + system + 2024-06-06T16:12:12.5912743+02:00 + Data collection has been initiated. + + + 1 + WS-CZC83174R0 + system + 2024-06-06T16:33:51.7517846+02:00 + Data has been collected and saved. + + \ No newline at end of file diff --git a/tests/test_readers/data/agilent_csv/RAU-R505-05.D/AcqData/Contents.xml b/tests/test_readers/data/agilent_csv/RAU-R505-05.D/AcqData/Contents.xml new file mode 100644 index 0000000..26f0d90 --- /dev/null +++ b/tests/test_readers/data/agilent_csv/RAU-R505-05.D/AcqData/Contents.xml @@ -0,0 +1,17 @@ + + + 3 + + + 2024-06-06T16:21:08.3018679+02:00 + + 2 + 5977B MSD + + 0 + + 2 + + 2 + MassHunter GC/MS Acquisition B.07.06.2704 18-Jul-2017 Copyright © 1989-2017 Agilent Technologies, Inc. + \ No newline at end of file diff --git a/tests/test_readers/data/agilent_csv/RAU-R505-05.D/AcqData/Devices.xml b/tests/test_readers/data/agilent_csv/RAU-R505-05.D/AcqData/Devices.xml new file mode 100644 index 0000000..0b92837 --- /dev/null +++ b/tests/test_readers/data/agilent_csv/RAU-R505-05.D/AcqData/Devices.xml @@ -0,0 +1,16 @@ + + + 1 + + SingleQuadrupole + 7.6.0.0 + 6.00.34 + 5977 + 1 + US1827R022 + 2 + 8 + 0 + 1 + + \ No newline at end of file diff --git a/tests/test_readers/data/agilent_csv/RAU-R505-05.D/AcqData/Janis12min,1minsolventdelay.M/acq.ms b/tests/test_readers/data/agilent_csv/RAU-R505-05.D/AcqData/Janis12min,1minsolventdelay.M/acq.ms new file mode 100644 index 0000000..2fcdc23 --- /dev/null +++ b/tests/test_readers/data/agilent_csv/RAU-R505-05.D/AcqData/Janis12min,1minsolventdelay.M/acq.ms @@ -0,0 +1,146 @@ +[Signature] +ID=00000000000000000000000000000000 + +[Version] +ID=G1701CA Version: C.00.00 + +[General] +Type=6 +Inlet=0 +Start Mode=0 +Run Duration=39000 +Solvent Delay=1 +Tune File=ATUNE.U +Group Ions=1 +Acq Mode=0 +Gauges=2 +Fast Scan=0 +TID=0 +EMSaver=0 + +[Zone 1] +ID=1 +On=1 +Soft Max=200 +Set Point=150 +Type=0 + +[Zone 2] +ID=0 +On=1 +Soft Max=250 +Set Point=230 +Type=0 + +[Zone 3] +ID=-1 +On=0 +Soft Max=0 +Set Point=0 +Type=0 + +[Ions 1] +Group Name=OFN-272-LR +Start Time=4.2 +Resolution=1 +Plot Index 1=0 +Number of Ions=1 +Ion 1=272.00,50 +Group EMV Setting=10 +Use Group EMV Setting=true +IonL1= + +[Scan 1] +Start Time=1 +Low Mass=45 +High Mass=550 +Threshold=150 +Sampling=4 +Low Plot 1= +Low Plot 2= +High Plot 1= +High Plot 2= + +[Scan 2] + +[Scan 3] + +[Filters] +Mass Type=0 +Mass Param=0 +Mass Sigma=0 +Time Type=0 +Time Param=0 +Time Sigma=0 + +[Plot] +Plot Type 1=0 +Time Plot 1=0 +Min Plot 1=0 +Max Plot 1=0 +Left Plot 1=0.000000 +Top Plot 1=0.085653 +Width Plot 1=0.520196 +Height Plot 1=0.625268 +Mode Plot 1=2 +Plot Type 2=2 +Time Plot 2=0 +Min Plot 2=0 +Max Plot 2=0 +Left Plot 2=0.198286 +Top Plot 2=0.197002 +Width Plot 2=0.499388 +Height Plot 2=0.501071 +Mode Plot 2=2 +X Gadget Pos 1=5 +Y Gadget Pos 1=230 +X Gadget Pos 2=130 +Y Gadget Pos 2=230 +Low Mass 1=1.6 +High Mass 1=1050 +Plot Label 1= +Low Mass 2=1.6 +High Mass 2=1050 +Plot Label 2= + +[Gauge1] +Type=2 +ID=1 +Display Type=0 +Left Plot=380 +Top Plot=230 +Alarm Error=100.00 +Alarm Warning=100.00 +Alarm Minimum=0.00 +Alarm Set=0 + +[Gauge2] +Type=2 +ID=0 +Display Type=0 +Left Plot=255 +Top Plot=230 +Alarm Error=100.00 +Alarm Warning=100.00 +Alarm Minimum=0.00 +Alarm Set=0 + + +[Parameters] +ID 1=7 +Mode 1=2 +Value 1=1.000000 +ID 2=-1 +Mode 2=0 +Value 2=0.000000 +[Time Events] +Number Events=0 +[SCIS] +H2FlowRate=0.13 +Emission=10 +SourceTemperature=230 +QuadrupoleTemperature=150 +Duration=1.3 +StabilizationDuration=0.166666666666667 +Filament=2 +Mode=None diff --git a/tests/test_readers/data/agilent_csv/RAU-R505-05.D/AcqData/MSPeak.bin b/tests/test_readers/data/agilent_csv/RAU-R505-05.D/AcqData/MSPeak.bin new file mode 100644 index 0000000..64c7ae5 Binary files /dev/null and b/tests/test_readers/data/agilent_csv/RAU-R505-05.D/AcqData/MSPeak.bin differ diff --git a/tests/test_readers/data/agilent_csv/RAU-R505-05.D/AcqData/MSScan.bin b/tests/test_readers/data/agilent_csv/RAU-R505-05.D/AcqData/MSScan.bin new file mode 100644 index 0000000..ae486ff Binary files /dev/null and b/tests/test_readers/data/agilent_csv/RAU-R505-05.D/AcqData/MSScan.bin differ diff --git a/tests/test_readers/data/agilent_csv/RAU-R505-05.D/AcqData/MSScan.xsd b/tests/test_readers/data/agilent_csv/RAU-R505-05.D/AcqData/MSScan.xsd new file mode 100644 index 0000000..5157805 --- /dev/null +++ b/tests/test_readers/data/agilent_csv/RAU-R505-05.D/AcqData/MSScan.xsd @@ -0,0 +1,92 @@ + + + + + + + + MSScan binary file index record details + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + diff --git a/tests/test_readers/data/agilent_csv/RAU-R505-05.D/AcqData/MSTS.xml b/tests/test_readers/data/agilent_csv/RAU-R505-05.D/AcqData/MSTS.xml new file mode 100644 index 0000000..3de75d5 --- /dev/null +++ b/tests/test_readers/data/agilent_csv/RAU-R505-05.D/AcqData/MSTS.xml @@ -0,0 +1,14 @@ + + + 3 + + + 0 + + 650 + 2012 + + 0 + + 0 + \ No newline at end of file diff --git a/tests/test_readers/data/agilent_csv/RAU-R505-05.D/AcqData/sample_info.xml b/tests/test_readers/data/agilent_csv/RAU-R505-05.D/AcqData/sample_info.xml new file mode 100644 index 0000000..a9a45f5 --- /dev/null +++ b/tests/test_readers/data/agilent_csv/RAU-R505-05.D/AcqData/sample_info.xml @@ -0,0 +1,264 @@ + + 1.0 + + Dilution + Dilution + 1 + 8 + + + + + Inj Vol (µl) + Inj Vol (µl) + 1 + 8 + + + + + Wt/Vol + Wt/Vol + 0 + 8 + + + + + Sample ID + Sample ID + + + 8 + + + + + Sample Name + Sample Name + RAU-R505-5 + 8 + + + + + Sample Position + Sample Position + 6 + 8 + + + + + Sample Type + Sample Type + + + 8 + + + + + Data File + Data File + D:\MassHunter\GCMS\1\data\Elizabeth\B06\24.06.06\RAU-R505-5.D + 8 + + + + + Method + Method + D:\MassHunter\GCMS\1\methods\Janis12min,1minsolventdelay.M + 8 + + + + + Override DA Method + Override DA Method + + + 8 + + + + + Level Name + Level Name + + + 8 + + + + + Comment + Comment + + + 8 + + + + + Balance Override + Balance Override + + + 8 + + + + + Barcode + Barcode + + + 8 + + + + + Equilib Time (min) + Equilib Time (min) + 0 + 8 + + + + + Plate Code + Plate Code + + + 8 + + + + + Plate Position + Plate Position + + + 8 + + + + + Rack Code + Rack Code + + + 8 + + + + + Rack Position + Rack Position + + + 8 + + + + + 11299862765 + Expected Barcode + + + 8 + + + + + 22001453695 + Sample Amount + + + 8 + + + + + 31671601488 + Dual Inj Vol + 1 + 8 + + + + + 4149666786 + TuneName + ATUNE.U + 8 + + + + + 51506321189 + TunePath + D:\MassHunter\GCMS\1\5977\ + 8 + + + + + 61749749366 + TuneDateStamp + 2023-11-20T11:52:13+01:00 + 8 + + + + + 7966741294 + MSFirmwareVersion + 6.00.34 + 8 + + + + + OperatorName + OperatorName + Iris + 8 + + + + + AcqTime + AcqTime + 2024-06-06T16:21:08.3018679+02:00 + 8 + + + + + SampleLockedRunMode + SampleLockedRunMode + False + 8 + + + + + RunCompletedFlag + RunCompletedFlag + True + 8 + + + + + InstrumentName + InstrumentName + 5977B MSD + 8 + + + + \ No newline at end of file diff --git a/tests/test_readers/data/agilent_csv/RAU-R505-05.D/AcqData/sequence.xml b/tests/test_readers/data/agilent_csv/RAU-R505-05.D/AcqData/sequence.xml new file mode 100644 index 0000000..cc36d0f --- /dev/null +++ b/tests/test_readers/data/agilent_csv/RAU-R505-05.D/AcqData/sequence.xml @@ -0,0 +1,57 @@ + + + 0 + 0 + Janis12min,1minsolventdelay + D:\MassHunter\GCMS\1\methods\ + + false + + + + RAU-R505-5 + D:\MassHunter\GCMS\1\data\Elizabeth\B06\24.06.06\ + 1 + false + + 6 + 0 + 0 + + 1 + 1 + 5977B MSD + SingleQuadrupole + + + + + false + + 2 + + + + RAU-R505-5 + dummy + + + Sample + + None + None + None + None + + + + + + + + + + + 6 + + \ No newline at end of file diff --git a/tests/test_readers/data/agilent_csv/RAU-R505-05.D/GC.ini b/tests/test_readers/data/agilent_csv/RAU-R505-05.D/GC.ini new file mode 100644 index 0000000..6cce862 --- /dev/null +++ b/tests/test_readers/data/agilent_csv/RAU-R505-05.D/GC.ini @@ -0,0 +1,284 @@ +[7890 DriverItem] +gc.fw=B.02.05.1 +gc.sn=CN18333156 +gc.ready=3 +gc.status=1 +ALS.fr.present=1 +ALS.fr.syringe=10 +ALS.fr.volume=1 +ALS.bk.present=0 +ALS.bk.syringe=-1.79769313486232E+308 +ALS.bk.volume=-1.79769313486232E+308 +ALS.tray.present=1 +ALS.bcr.present=0 +gc.runlength=12.7142857142857 +gc.runtime=12.7138801999972 +gc.postrun=0 +gc.posttime=-1.79769313486232E+308 +gc.pressureunits=1 +Oven.T.state=1 +Oven.T.actual=261.6542728 +Oven.T.setpoint=30 +oven.T.ramp=30,30,4,35,300,1 +inlet.fr.T.state=1 +inlet.fr.T.actual=250.0431543 +inlet.fr.T.setpoint=250 +inlet.fr.column=1 +inlet.bk.T.state=-1.79769313486232E+308 +inlet.bk.T.actual=-1.79769313486232E+308 +inlet.bk.T.setpoint=-1.79769313486232E+308 +inlet.bk.column=-1.79769313486232E+308 +inlet.fr.gas=He +inlet.fr.p.actual=2382117 +inlet.fr.f.actual=23.22472141 +inlet.fr.mode=SPLIT +inlet.fr.splitratio=50 +inlet.bk.gas=!HW Item is not supported +inlet.bk.p.actual=-1.79769313486232E+308 +inlet.bk.f.actual=-1.79769313486232E+308 +inlet.bk.mode=!HW Item is not supported +inlet.bk.splitratio=-1.79769313486232E+308 +Column.1.F.actual=0.985538206 +Column.2.F.actual=1.50467241 +Column.3.F.actual=0 +Column.4.F.actual=0 +Column.5.F.actual=0 +Column.6.F.actual=0 +column.1.L=30 +column.1.D=0.00025 +column.1.t=2.5E-07 +column.1.max=325 +column.1.name=Agilent 19091S-433 +column.1.type=HP-5MS 5% Phenyl Methyl Silox +column.2.L=0.4 +column.2.D=0.0001 +column.2.t=0 +column.2.max=350 +column.2.name= +column.3.L=25 +column.3.D=0.00032 +column.3.t=0 +column.3.max=450 +column.3.name= +column.4.L=25 +column.4.D=0.00032 +column.4.t=0 +column.4.max=450 +column.4.name= +column.5.L=25 +column.5.D=0.00032 +column.5.t=0 +column.5.max=450 +column.5.name= +column.6.L=25 +column.6.D=0.00032 +column.6.t=0 +column.6.max=450 +column.6.name= +Column.1.description.Present=true +Column.1.description.NominalLength=30 +Column.1.description.NominalDiameter=0.00025 +Column.1.description.FilmThickness=2.5E-07 +Column.1.description.InletConnection=FRONT_INLET +Column.1.description.OutletConnection=AUX_PRESSURE_3 +Column.1.description.CalculatedLength=30 +Column.1.description.CalculatedDiameter=0.00025 +Column.1.description.CalibrationMode=UNCALIBRATED +Column.1.description.CalibrationDateTime=2000-01-02T00:00:00 +Column.1.description.ColumnMaxTemp=325 +Column.1.description.Name=Agilent 19091S-433 +Column.1.description.Type=HP-5MS 5% Phenyl Methyl Silox +Column.1.description.SerialNumber=93.92873 +Column.2.description.Present=true +Column.2.description.NominalLength=0.4 +Column.2.description.NominalDiameter=0.0001 +Column.2.description.FilmThickness=0 +Column.2.description.InletConnection=AUX_PRESSURE_3 +Column.2.description.OutletConnection=VACUUM +Column.2.description.CalculatedLength=0.4 +Column.2.description.CalculatedDiameter=0.0001 +Column.2.description.CalibrationMode=UNCALIBRATED +Column.2.description.CalibrationDateTime=2000-01-02T00:00:00 +Column.2.description.ColumnMaxTemp=350 +Column.2.description.Name= +Column.2.description.Type="" +Column.2.description.SerialNumber="" +Column.3.description.Present=true +Column.3.description.NominalLength=25 +Column.3.description.NominalDiameter=0.00032 +Column.3.description.FilmThickness=0 +Column.3.description.InletConnection=NONE +Column.3.description.OutletConnection=NONE +Column.3.description.CalculatedLength=25 +Column.3.description.CalculatedDiameter=0.00032 +Column.3.description.CalibrationMode=UNCALIBRATED +Column.3.description.CalibrationDateTime=2000-01-02T00:00:00 +Column.3.description.ColumnMaxTemp=450 +Column.3.description.Name= +Column.3.description.Type="" +Column.3.description.SerialNumber="" +Column.4.description.Present=true +Column.4.description.NominalLength=25 +Column.4.description.NominalDiameter=0.00032 +Column.4.description.FilmThickness=0 +Column.4.description.InletConnection=NONE +Column.4.description.OutletConnection=NONE +Column.4.description.CalculatedLength=25 +Column.4.description.CalculatedDiameter=0.00032 +Column.4.description.CalibrationMode=UNCALIBRATED +Column.4.description.CalibrationDateTime=2000-01-02T00:00:00 +Column.4.description.ColumnMaxTemp=450 +Column.4.description.Name= +Column.4.description.Type="" +Column.4.description.SerialNumber="" +Column.5.description.Present=true +Column.5.description.NominalLength=25 +Column.5.description.NominalDiameter=0.00032 +Column.5.description.FilmThickness=0 +Column.5.description.InletConnection=NONE +Column.5.description.OutletConnection=NONE +Column.5.description.CalculatedLength=25 +Column.5.description.CalculatedDiameter=0.00032 +Column.5.description.CalibrationMode=UNCALIBRATED +Column.5.description.CalibrationDateTime=2000-01-02T00:00:00 +Column.5.description.ColumnMaxTemp=450 +Column.5.description.Name= +Column.5.description.Type="" +Column.5.description.SerialNumber="" +Column.6.description.Present=true +Column.6.description.NominalLength=25 +Column.6.description.NominalDiameter=0.00032 +Column.6.description.FilmThickness=0 +Column.6.description.InletConnection=NONE +Column.6.description.OutletConnection=NONE +Column.6.description.CalculatedLength=25 +Column.6.description.CalculatedDiameter=0.00032 +Column.6.description.CalibrationMode=UNCALIBRATED +Column.6.description.CalibrationDateTime=2000-01-02T00:00:00 +Column.6.description.ColumnMaxTemp=450 +Column.6.description.Name= +Column.6.description.Type="" +Column.6.description.SerialNumber="" +det.fr.T.state=-1.79769313486232E+308 +det.fr.T.setpoint=-1.79769313486232E+308 +det.fr.T.actual=-1.79769313486232E+308 +det.fr.Signal.actual=-1.79769313486232E+308 +det.fr.Fuel.actual=-1.79769313486232E+308 +det.fr.Utility.actual=-1.79769313486232E+308 +det.fr.makeup.actual=-1.79769313486232E+308 +det.bk.T.state=-1.79769313486232E+308 +det.bk.T.setpoint=-1.79769313486232E+308 +det.bk.T.actual=-1.79769313486232E+308 +det.bk.Signal.actual=-1.79769313486232E+308 +det.bk.Fuel.actual=-1.79769313486232E+308 +det.bk.Utility.actual=-1.79769313486232E+308 +det.bk.makeup.actual=-1.79769313486232E+308 +det.aux.T.state=-1.79769313486232E+308 +det.aux.T.setpoint=-1.79769313486232E+308 +det.aux.T.actual=-1.79769313486232E+308 +det.aux.Signal.actual=-1.79769313486232E+308 +det.aux.Fuel.actual=-1.79769313486232E+308 +det.aux.Utility.actual=-1.79769313486232E+308 +det.aux.makeup.actual=-1.79769313486232E+308 +det.4th.T.state=-1.79769313486232E+308 +det.4th.T.setpoint=-1.79769313486232E+308 +det.4th.T.actual=-1.79769313486232E+308 +det.4th.Signal.actual=-1.79769313486232E+308 +det.4th.Fuel.actual=-1.79769313486232E+308 +det.4th.Utility.actual=-1.79769313486232E+308 +det.4th.makeup.actual=-1.79769313486232E+308 +AuxH.1.T.state=-1.79769313486232E+308 +AuxH.1.T.type=-1.79769313486232E+308 +AuxH.1.T.actual=-1.79769313486232E+308 +AuxH.1.T.setpoint=-1.79769313486232E+308 +AuxH.2.T.state=1 +AuxH.2.T.type=-1.79769313486232E+308 +AuxH.2.T.actual=280.1226943 +AuxH.2.T.setpoint=280 +AuxH.3.T.state=-1.79769313486232E+308 +AuxH.3.T.type=-1.79769313486232E+308 +AuxH.3.T.actual=-1.79769313486232E+308 +AuxH.3.T.setpoint=-1.79769313486232E+308 +rtlpressure=1377294.63663279 +rtlpressure.1=1377294.63663279 +rtlpressure.2=879395.685196652 +rtlpressure.3=-1.79769313486232E+308 +rtlpressure.4=-1.79769313486232E+308 +rtlpressure.5=-1.79769313486232E+308 +rtlpressure.6=-1.79769313486232E+308 +Valve.1.state=0 +Valve.2.state=0 +Valve.3.state=0 +Valve.4.state=0 +Valve.5.state=0 +Valve.6.state=0 +Valve.7.state=0 +Valve.8.state=0 +APC.1.A.P.actual=445743 +APC.1.B.P.actual=11279 +APC.1.C.P.actual=1448317 +APC.2.A.P.actual=-1.79769313486232E+308 +APC.2.B.P.actual=-1.79769313486232E+308 +APC.2.C.P.actual=-1.79769313486232E+308 +APC.3.A.P.actual=-1.79769313486232E+308 +APC.3.B.P.actual=-1.79769313486232E+308 +APC.3.C.P.actual=-1.79769313486232E+308 +APC.1.A.P.setpoint=689475.7 +APC.1.B.P.setpoint=689475.7 +APC.1.C.P.setpoint=879395.6852 +APC.2.A.P.setpoint=-1.79769313486232E+308 +APC.2.B.P.setpoint=-1.79769313486232E+308 +APC.2.C.P.setpoint=-1.79769313486232E+308 +APC.3.A.P.setpoint=-1.79769313486232E+308 +APC.3.B.P.setpoint=-1.79769313486232E+308 +APC.3.C.P.setpoint=-1.79769313486232E+308 +APC.1.A.gas=He +APC.1.B.gas=He +APC.1.C.gas=He +APC.2.A.gas=!HW Item is not supported +APC.2.B.gas=!HW Item is not supported +APC.2.C.gas=!HW Item is not supported +APC.3.A.gas=!HW Item is not supported +APC.3.B.gas=!HW Item is not supported +APC.3.C.gas=!HW Item is not supported +pcm.1.a.P.setpoint=-1.79769313486232E+308 +pcm.1.b.P.setpoint=-1.79769313486232E+308 +pcm.2.a.P.setpoint=-1.79769313486232E+308 +pcm.2.b.P.setpoint=-1.79769313486232E+308 +pcm.3.a.P.setpoint=-1.79769313486232E+308 +pcm.3.b.P.setpoint=-1.79769313486232E+308 +pcm.1.a.P.actual=-1.79769313486232E+308 +pcm.1.b.P.actual=-1.79769313486232E+308 +pcm.2.a.P.actual=-1.79769313486232E+308 +pcm.2.b.P.actual=-1.79769313486232E+308 +pcm.3.a.P.actual=-1.79769313486232E+308 +pcm.3.b.P.actual=-1.79769313486232E+308 +pcm.1.a.F.actual=-1.79769313486232E+308 +pcm.1.b.F.actual=-1.79769313486232E+308 +pcm.2.a.F.actual=-1.79769313486232E+308 +pcm.2.b.F.actual=-1.79769313486232E+308 +pcm.3.a.F.actual=-1.79769313486232E+308 +pcm.3.b.F.actual=-1.79769313486232E+308 +pcm.1.a.gas=-1.79769313486232E+308 +pcm.1.b.gas=-1.79769313486232E+308 +pcm.2.a.gas=-1.79769313486232E+308 +pcm.2.b.gas=-1.79769313486232E+308 +pcm.3.a.gas=-1.79769313486232E+308 +pcm.3.b.gas=-1.79769313486232E+308 +AuxP.1.P.actual=445762 +AuxP.2.P.actual=11281 +AuxP.3.P.actual=1429328 +AuxP.4.P.actual=-1.79769313486232E+308 +AuxP.5.P.actual=-1.79769313486232E+308 +AuxP.6.P.actual=-1.79769313486232E+308 +AuxP.7.P.actual=-1.79769313486232E+308 +AuxP.8.P.actual=-1.79769313486232E+308 +AuxP.9.P.actual=-1.79769313486232E+308 +Parameter name: APC.3.C.gas +Parameter name: APC.3.B.gas +Parameter name: APC.3.A.gas +Parameter name: APC.2.C.gas +Parameter name: APC.2.B.gas +Parameter name: APC.2.A.gas +Parameter name: inlet.bk.mode +Parameter name: inlet.bk.gas diff --git a/tests/test_readers/data/agilent_csv/RAU-R505-05.D/PRE_POST.INI b/tests/test_readers/data/agilent_csv/RAU-R505-05.D/PRE_POST.INI new file mode 100644 index 0000000..d5cbd4d --- /dev/null +++ b/tests/test_readers/data/agilent_csv/RAU-R505-05.D/PRE_POST.INI @@ -0,0 +1,115 @@ +[POSTRUN] +SOURCE=MS +Application=MassHunter GC/MS Acquisition B.07.06.2704 18-Jul-2017 Copyright © 1989-2017 Agilent Technologies, Inc. +Date=Thu Jun 06 16:33:54 2024 +SampleAmount=0 +Multiplier=1 +SmartCard=AGILENT TECHNOLOGIES,5977,US1827R022,6.00.34 +serial_n=US1827R022 +acqmode=0 +TuneName=ATUNE.U +TunePath=D:\MassHunter\GCMS\1\5977\ +TuneDate=20 Nov 2023 11:52 am +CImode=0 +CIpolarity=0 +SourceTemp=230 +QuadTemp=150 +Pressure=1.09E-05 +Matrix=1 +InitialAmt=1 +FinalAmt=1 +PrimaryFile=\data.ms +PrimaryType=hgfile +timestamp=MS ChemStation +DataRecord=REV2:PARAFIT3 +SourceConf=101 +Observedm1=68.9963994372028 +Observedm2=218.954766989366 +Observedm3=502.003028423966 +Instrument Name=5977B MSD +controller=Top Sequence +[Scan Parameters] +scanstart1=1 +lowmass1=45 +highmass1=550 +[TuneValues] +massgain=53 +massoffset=-26 +amugain=2335 +amuoffset=134.25 +dcpolarity=0 +emission=34.592541048648 +electron=70.0073246658121 +emvolts=1180.00366233291 +ACTUAL_EMVOLTS=1164.1 +GAIN FACTOR= 1.00 +entrance_lens=22.6722032242306 +filament=1 +ionfocus=90.3308509339519 +repeller=19.7593791966793 +entlensoffset=14.1102429495788 +[MS_Faults] +NUM_MS_Faults=0 +[firmware] +MSSC=6.00.34 +BSP=1.2/27.16T +HTTP=0.1 +LUI=04.32A.20160325 +[Type] +Type=1 +MHAcq=1 +[Sequence] +_methpath$=D:\MassHunter\GCMS\1\methods\ +_methfile$=Janis12min,1minsolventdelay.M +SeqFileName=D:\MassHunter\GCMS\1\sequence\IrisH.sequence.xml +[HW Config] +Smartcard=SC3.3 (SC33,40.0,32M,0K,64M,0x3722) +Sideboard=5975HI_SIDEBOARD +Log Amplifier=LOG02,121,54,2,CAL,y618051086 +Vacuum Pump=TURBO_PUMP +Vacuum Guage=HIVACGAUGE +CI Flow Control=NO_FCB +HES Driver PCA=SRC_PCA_TYPE_UNK +[Factors] +Mist=20 +Scan=NORM +A/Ds=16.00 +AVG.=1 +Samp=4 +Step=0.03 +Filter=Mass:ISTD +Qual=PARAFIT3 +SimSampPer=16 +Madly=800,9 +5975NoiseReduction=1 +5975EMSaver=-1 +LagFactors=-0.0285:8e-05:0 +tbyrst=40 +mbyrst=40 +tdomain=COEF,1.000000 +mdomain=-0.005964,-0.016017,0.008343,0.108516,0.247621 +[GainCoefficients] +Squared_=16.922441816685 +Linear__=48.3105062581599 +Constant=499.506255040877 +[Injection] +Tower=0 +F. SyringeVolume=10 +F. MethodVolume=1 +F. OverrideVolume=0 +R. SyringeVolume=0 +R. MethodVolume=0 +R. OverrideVolume=0 +Maxvial-1=150 +Maxvial-2=0 +Maxvial-3=0 +method specified sample prep= +[FC_VGauge] +CI=NO_FCB +Gauge=HIVACGAUGE +Pressure=1.1E-05 +[Compliance] +_iscompliant=0 +_isRandR=0 +_isSecureFS=0 +_isSecureRemoteFS=0 diff --git a/tests/test_readers/data/agilent_csv/RAU-R505-05.D/RESULTS.CSV b/tests/test_readers/data/agilent_csv/RAU-R505-05.D/RESULTS.CSV new file mode 100644 index 0000000..0814805 --- /dev/null +++ b/tests/test_readers/data/agilent_csv/RAU-R505-05.D/RESULTS.CSV @@ -0,0 +1,11 @@ +[contents] +count=1 +Name=,D:\MassHunter\GCMS\1\data\Elizabeth\B06\24.06.06\RAU-R505-5.D +1=,INT TIC: RAU-R505-5.D\data.ms +[INT TIC: RAU-R505-5.D\data.ms] +Time=,Thu Jun 06 16:34:09 2024 +Header=,"Peak","R.T.","First","Max","Last","PK TY","Height","Area","Pct Max","Pct Total" +1=, 1, 6.055, 855, 860, 876," M ",1765747, 14722055,100.00, 46.388 +2=, 2, 6.301, 899, 903, 914," M ",1214772, 9499923, 64.53, 29.933 +3=, 3, 10.159, 1569,1571,1574," M ", 14628, 135439, 0.92, 0.427 +4=, 4, 10.289, 1590,1593,1606," M ", 559226, 7379450, 50.13, 23.252 diff --git a/tests/test_readers/data/agilent_csv/RAU-R505-05.D/TEMPBASE b/tests/test_readers/data/agilent_csv/RAU-R505-05.D/TEMPBASE new file mode 100644 index 0000000..e69de29 diff --git a/tests/test_readers/data/agilent_csv/RAU-R505-05.D/acqmeth.txt b/tests/test_readers/data/agilent_csv/RAU-R505-05.D/acqmeth.txt new file mode 100644 index 0000000..d5b168d Binary files /dev/null and b/tests/test_readers/data/agilent_csv/RAU-R505-05.D/acqmeth.txt differ diff --git a/tests/test_readers/data/agilent_csv/RAU-R505-05.D/checksum.xml b/tests/test_readers/data/agilent_csv/RAU-R505-05.D/checksum.xml new file mode 100644 index 0000000..1e435e6 --- /dev/null +++ b/tests/test_readers/data/agilent_csv/RAU-R505-05.D/checksum.xml @@ -0,0 +1,7 @@ + + + +
+ 96-99-D2-B4-7A-43-61-8F-A5-29-BC-5C-51-37-07-42-20-44-4B-A9-2E-C8-A7-9E-6B-0B-4B-DA-3B-64-97-34-2A-C1-38-FC-9C-F9-DF-4C-56-45-DF-FC-D9-44-DC-E9-86-CF-EE-7C-66-40-02-07-72-9A-B0-A5-59-B6-88-C5 +
+ \ No newline at end of file diff --git a/tests/test_readers/data/agilent_csv/RAU-R505-05.D/data.ms b/tests/test_readers/data/agilent_csv/RAU-R505-05.D/data.ms new file mode 100644 index 0000000..e47204d Binary files /dev/null and b/tests/test_readers/data/agilent_csv/RAU-R505-05.D/data.ms differ diff --git a/tests/test_readers/data/agilent_csv/RAU-R505-05.D/rteres.txt b/tests/test_readers/data/agilent_csv/RAU-R505-05.D/rteres.txt new file mode 100644 index 0000000..8fa9e73 --- /dev/null +++ b/tests/test_readers/data/agilent_csv/RAU-R505-05.D/rteres.txt @@ -0,0 +1,30 @@ + Area Percent Report + + Data Path : D:\MassHunter\GCMS\1\data\Elizabeth\B06\24.06.06\ + Data File : RAU-R505-5.D + Acq On : 06 Jun 2024 16:21 + Operator : Iris + Sample : RAU-R505-5 + Misc : + ALS Vial : 6 Sample Multiplier: 1 + + Integration Parameters: autoint1.e + Integrator: ChemStation + + Method : D:\MassHunter\GCMS\1\methods\Janis12min.M + Title : + + Signal : TIC: RAU-R505-5.D\data.ms + + peak R.T. first max last PK peak corr. corr. % of + # min scan scan scan TY height area % max. total + --- ----- ----- ---- ---- --- ------- ------- ------ ------- + 1 6.055 855 860 876 M 1765747 14722055 100.00% 46.388% + 2 6.301 899 903 914 M 1214772 9499923 64.53% 29.933% + 3 10.159 1569 1571 1574 M 14628 135439 0.92% 0.427% + 4 10.289 1590 1593 1606 M 559226 7379450 50.13% 23.252% + + + Sum of corrected areas: 31736867 + +Janis12min.M Thu Jun 06 16:34:10 2024 diff --git a/tests/test_readers/data/agilent_csv/RAU-R505-05.D/runstart.txt b/tests/test_readers/data/agilent_csv/RAU-R505-05.D/runstart.txt new file mode 100644 index 0000000..24b4c5d --- /dev/null +++ b/tests/test_readers/data/agilent_csv/RAU-R505-05.D/runstart.txt @@ -0,0 +1,64 @@ + Critical RunStart CP Variables + +CP Variable = Value + + Front Injector Available(_turretfrontavail) = 1 + Rear Injector Available(_turretrearavail) = 0 + Dual Injector Available(_turretdualavail) = 0 + + Injection Source(_injsource) = 1 1,2,3,4,5,6=ALS,Man,Valve,Ext.,PAL,HS,MiniTD + _injloc (_injloc) = 1 + MSD Sample(_msinlet) = 1 1,2=sample1=Front,sample2=Rear + + _ptavail : 1 _dopretreat : 0 _pretreatpath$ : D:\MassHunter\GCMS\1\PreTreat\ + _pretreatfile$ : _pretreatmeth$ : + + _Overlapped _overlap _ALSNEXT, _ALSNEXT2, _Lastlap 0 0 7 7 0 + +_overlapped: Is method currently overlapping? 0 +_overlap: Is hw capable of overlapping? 0 +_alsnext: Next vial front inlet? 7 +_lastlap: Indicator for last entry in SLT 0 + + _seqcheckbar: 0 On Mismatch, Inject Anyway + _seqcheckbarnext: 0 + Expected BCs : 2: + + Next Expected BCs : 2: + + Previous _checkbar : 0 + Previous _barmismatch: 0 + +_maxvial[] 1=150 2=0 3=0 + +Front Sample + + Alsbottle (_alsbottle) = 6 + Methfile (_methfile$) = Janis12min,1minsolventdelay.M + Datafile(,_datafile$) = RAU-R505-5.D + Sample Name (_dataname$) = RAU-R505-5 + Exp. Barcode(_expbarcode$)= + Miscellaneous (_miscinfo$) = + Vol. Override (_injvol) = 0 + Method Volume (_methvol) = 1 + SyringeVolume (_syrvol) = 10 + SyringeVolLow (_syrvollow) = 0 + Multiplier (_multiplr) = 1 + Sample Amt (_sampamt) = 0 + + +Rear Sample + + Alsbottle(_alsbottle2) = 0 + Datafile(_datafile2$) = RAU-R505-5.D + Sample Name(_dataname2$) = RAU-R505-5 + Exp. Barcode(_expbarcode2$) = + Miscellaneous(_miscinfo2$) = + Vol. Override(_injvol2) = 0 + Method Volume(_methvol2) = 0 + SyringeVolume(_syrvol2) = 0 + SyringeVolLow(_syrvollow2) = 0 + Multiplier(_multiplr2) = 1 + Sample Amt(_sampamt2) = 0 + +Thu Jun 06 16:12:12 2024 diff --git a/tests/test_readers/data/agilent_csv/RAU-R505-05.D/tic_front.csv b/tests/test_readers/data/agilent_csv/RAU-R505-05.D/tic_front.csv new file mode 100644 index 0000000..b33d428 --- /dev/null +++ b/tests/test_readers/data/agilent_csv/RAU-R505-05.D/tic_front.csv @@ -0,0 +1,2014 @@ +D:\MassHunter\GCMS\1\data\Elizabeth\B06\24.06.06\RAU-R505-5.D 06 Jun 24 04:21 pm +Start of data points +1.09303,28001570 +1.09882,27639886 +1.10458,26622406 +1.11037,25907564 +1.11613,25312540 +1.12192,24634316 +1.12768,24242096 +1.13347,23769110 +1.13925,23365076 +1.14502,22897984 +1.1508,22747892 +1.15657,26218912 +1.16235,755258 +1.16812,546045 +1.1739,483454 +1.17967,463790 +1.18545,519607 +1.19122,692689 +1.197,995641 +1.20277,1336921 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a/tests/test_readers/data/agilent_csv/RAU-R505-06.D/AcqData-CumulativeAuditTrail.xml b/tests/test_readers/data/agilent_csv/RAU-R505-06.D/AcqData-CumulativeAuditTrail.xml new file mode 100644 index 0000000..4fc6c76 --- /dev/null +++ b/tests/test_readers/data/agilent_csv/RAU-R505-06.D/AcqData-CumulativeAuditTrail.xml @@ -0,0 +1,17 @@ + + + + 0 + WS-CZC83174R0 + system + 2024-06-06T16:34:12.0126391+02:00 + Data collection has been initiated. + + + 1 + WS-CZC83174R0 + system + 2024-06-06T16:55:53.0056085+02:00 + Data has been collected and saved. + + \ No newline at end of file diff --git a/tests/test_readers/data/agilent_csv/RAU-R505-06.D/AcqData/Contents.xml b/tests/test_readers/data/agilent_csv/RAU-R505-06.D/AcqData/Contents.xml new file mode 100644 index 0000000..81bd779 --- /dev/null +++ b/tests/test_readers/data/agilent_csv/RAU-R505-06.D/AcqData/Contents.xml @@ -0,0 +1,17 @@ + + + 3 + + + 2024-06-06T16:43:10.9489223+02:00 + + 2 + 5977B MSD + + 0 + + 2 + + 2 + MassHunter GC/MS Acquisition B.07.06.2704 18-Jul-2017 Copyright © 1989-2017 Agilent Technologies, Inc. + \ No newline at end of file diff --git a/tests/test_readers/data/agilent_csv/RAU-R505-06.D/AcqData/Devices.xml b/tests/test_readers/data/agilent_csv/RAU-R505-06.D/AcqData/Devices.xml new file mode 100644 index 0000000..0b92837 --- /dev/null +++ b/tests/test_readers/data/agilent_csv/RAU-R505-06.D/AcqData/Devices.xml @@ -0,0 +1,16 @@ + + + 1 + + SingleQuadrupole + 7.6.0.0 + 6.00.34 + 5977 + 1 + US1827R022 + 2 + 8 + 0 + 1 + + \ No newline at end of file diff --git a/tests/test_readers/data/agilent_csv/RAU-R505-06.D/AcqData/Janis12min,1minsolventdelay.M/acq.ms b/tests/test_readers/data/agilent_csv/RAU-R505-06.D/AcqData/Janis12min,1minsolventdelay.M/acq.ms new file mode 100644 index 0000000..2fcdc23 --- /dev/null +++ b/tests/test_readers/data/agilent_csv/RAU-R505-06.D/AcqData/Janis12min,1minsolventdelay.M/acq.ms @@ -0,0 +1,146 @@ +[Signature] +ID=00000000000000000000000000000000 + +[Version] +ID=G1701CA Version: C.00.00 + +[General] +Type=6 +Inlet=0 +Start Mode=0 +Run Duration=39000 +Solvent Delay=1 +Tune File=ATUNE.U +Group Ions=1 +Acq Mode=0 +Gauges=2 +Fast Scan=0 +TID=0 +EMSaver=0 + +[Zone 1] +ID=1 +On=1 +Soft Max=200 +Set Point=150 +Type=0 + +[Zone 2] +ID=0 +On=1 +Soft Max=250 +Set Point=230 +Type=0 + +[Zone 3] +ID=-1 +On=0 +Soft Max=0 +Set Point=0 +Type=0 + +[Ions 1] +Group Name=OFN-272-LR +Start Time=4.2 +Resolution=1 +Plot Index 1=0 +Number of Ions=1 +Ion 1=272.00,50 +Group EMV Setting=10 +Use Group EMV Setting=true +IonL1= + +[Scan 1] +Start Time=1 +Low Mass=45 +High Mass=550 +Threshold=150 +Sampling=4 +Low Plot 1= +Low Plot 2= +High Plot 1= +High Plot 2= + +[Scan 2] + +[Scan 3] + +[Filters] +Mass Type=0 +Mass Param=0 +Mass Sigma=0 +Time Type=0 +Time Param=0 +Time Sigma=0 + +[Plot] +Plot Type 1=0 +Time Plot 1=0 +Min Plot 1=0 +Max Plot 1=0 +Left Plot 1=0.000000 +Top Plot 1=0.085653 +Width Plot 1=0.520196 +Height Plot 1=0.625268 +Mode Plot 1=2 +Plot Type 2=2 +Time Plot 2=0 +Min Plot 2=0 +Max Plot 2=0 +Left Plot 2=0.198286 +Top Plot 2=0.197002 +Width Plot 2=0.499388 +Height Plot 2=0.501071 +Mode Plot 2=2 +X Gadget Pos 1=5 +Y Gadget Pos 1=230 +X Gadget Pos 2=130 +Y Gadget Pos 2=230 +Low Mass 1=1.6 +High Mass 1=1050 +Plot Label 1= +Low Mass 2=1.6 +High Mass 2=1050 +Plot Label 2= + +[Gauge1] +Type=2 +ID=1 +Display Type=0 +Left Plot=380 +Top Plot=230 +Alarm Error=100.00 +Alarm Warning=100.00 +Alarm Minimum=0.00 +Alarm Set=0 + +[Gauge2] +Type=2 +ID=0 +Display Type=0 +Left Plot=255 +Top Plot=230 +Alarm Error=100.00 +Alarm Warning=100.00 +Alarm Minimum=0.00 +Alarm Set=0 + + +[Parameters] +ID 1=7 +Mode 1=2 +Value 1=1.000000 +ID 2=-1 +Mode 2=0 +Value 2=0.000000 +[Time Events] +Number Events=0 +[SCIS] +H2FlowRate=0.13 +Emission=10 +SourceTemperature=230 +QuadrupoleTemperature=150 +Duration=1.3 +StabilizationDuration=0.166666666666667 +Filament=2 +Mode=None diff --git a/tests/test_readers/data/agilent_csv/RAU-R505-06.D/AcqData/MSPeak.bin b/tests/test_readers/data/agilent_csv/RAU-R505-06.D/AcqData/MSPeak.bin new file mode 100644 index 0000000..dc26a08 Binary files /dev/null and b/tests/test_readers/data/agilent_csv/RAU-R505-06.D/AcqData/MSPeak.bin differ diff --git a/tests/test_readers/data/agilent_csv/RAU-R505-06.D/AcqData/MSScan.bin b/tests/test_readers/data/agilent_csv/RAU-R505-06.D/AcqData/MSScan.bin new file mode 100644 index 0000000..df4b7b7 Binary files /dev/null and b/tests/test_readers/data/agilent_csv/RAU-R505-06.D/AcqData/MSScan.bin differ diff --git a/tests/test_readers/data/agilent_csv/RAU-R505-06.D/AcqData/MSScan.xsd b/tests/test_readers/data/agilent_csv/RAU-R505-06.D/AcqData/MSScan.xsd new file mode 100644 index 0000000..5157805 --- /dev/null +++ b/tests/test_readers/data/agilent_csv/RAU-R505-06.D/AcqData/MSScan.xsd @@ -0,0 +1,92 @@ + + + + + + + + MSScan binary file index record details + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + diff --git a/tests/test_readers/data/agilent_csv/RAU-R505-06.D/AcqData/MSTS.xml b/tests/test_readers/data/agilent_csv/RAU-R505-06.D/AcqData/MSTS.xml new file mode 100644 index 0000000..3de75d5 --- /dev/null +++ b/tests/test_readers/data/agilent_csv/RAU-R505-06.D/AcqData/MSTS.xml @@ -0,0 +1,14 @@ + + + 3 + + + 0 + + 650 + 2012 + + 0 + + 0 + \ No newline at end of file diff --git a/tests/test_readers/data/agilent_csv/RAU-R505-06.D/AcqData/sample_info.xml b/tests/test_readers/data/agilent_csv/RAU-R505-06.D/AcqData/sample_info.xml new file mode 100644 index 0000000..7680893 --- /dev/null +++ b/tests/test_readers/data/agilent_csv/RAU-R505-06.D/AcqData/sample_info.xml @@ -0,0 +1,264 @@ + + 1.0 + + Dilution + Dilution + 1 + 8 + + + + + Inj Vol (µl) + Inj Vol (µl) + 1 + 8 + + + + + Wt/Vol + Wt/Vol + 0 + 8 + + + + + Sample ID + Sample ID + + + 8 + + + + + Sample Name + Sample Name + RAU-R505-6 + 8 + + + + + Sample Position + Sample Position + 7 + 8 + + + + + Sample Type + Sample Type + + + 8 + + + + + Data File + Data File + D:\MassHunter\GCMS\1\data\Elizabeth\B06\24.06.06\RAU-R505-6.D + 8 + + + + + Method + Method + D:\MassHunter\GCMS\1\methods\Janis12min,1minsolventdelay.M + 8 + + + + + Override DA Method + Override DA Method + + + 8 + + + + + Level Name + Level Name + + + 8 + + + + + Comment + Comment + + + 8 + + + + + Balance Override + Balance Override + + + 8 + + + + + Barcode + Barcode + + + 8 + + + + + Equilib Time (min) + Equilib Time (min) + 0 + 8 + + + + + Plate Code + Plate Code + + + 8 + + + + + Plate Position + Plate Position + + + 8 + + + + + Rack Code + Rack Code + + + 8 + + + + + Rack Position + Rack Position + + + 8 + + + + + 1124970283 + Expected Barcode + + + 8 + + + + + 21956910400 + Sample Amount + + + 8 + + + + + 31955868012 + Dual Inj Vol + 1 + 8 + + + + + 4790387665 + TuneName + ATUNE.U + 8 + + + + + 51973898835 + TunePath + D:\MassHunter\GCMS\1\5977\ + 8 + + + + + 61732330564 + TuneDateStamp + 2023-11-20T11:52:13+01:00 + 8 + + + + + 7674781304 + MSFirmwareVersion + 6.00.34 + 8 + + + + + OperatorName + OperatorName + Iris + 8 + + + + + AcqTime + AcqTime + 2024-06-06T16:43:10.9489223+02:00 + 8 + + + + + SampleLockedRunMode + SampleLockedRunMode + False + 8 + + + + + RunCompletedFlag + RunCompletedFlag + True + 8 + + + + + InstrumentName + InstrumentName + 5977B MSD + 8 + + + + \ No newline at end of file diff --git a/tests/test_readers/data/agilent_csv/RAU-R505-06.D/AcqData/sequence.xml b/tests/test_readers/data/agilent_csv/RAU-R505-06.D/AcqData/sequence.xml new file mode 100644 index 0000000..078f4e1 --- /dev/null +++ b/tests/test_readers/data/agilent_csv/RAU-R505-06.D/AcqData/sequence.xml @@ -0,0 +1,57 @@ + + + 0 + 0 + Janis12min,1minsolventdelay + D:\MassHunter\GCMS\1\methods\ + + false + + + + RAU-R505-6 + D:\MassHunter\GCMS\1\data\Elizabeth\B06\24.06.06\ + 1 + false + + 7 + 0 + 0 + + 1 + 1 + 5977B MSD + SingleQuadrupole + + + + + false + + 2 + + + + RAU-R505-6 + dummy + + + Sample + + None + None + None + None + + + + + + + + + + + 7 + + \ No newline at end of file diff --git a/tests/test_readers/data/agilent_csv/RAU-R505-06.D/GC.ini b/tests/test_readers/data/agilent_csv/RAU-R505-06.D/GC.ini new file mode 100644 index 0000000..6369396 --- /dev/null +++ b/tests/test_readers/data/agilent_csv/RAU-R505-06.D/GC.ini @@ -0,0 +1,284 @@ +[7890 DriverItem] +gc.fw=B.02.05.1 +gc.sn=CN18333156 +gc.ready=3 +gc.status=1 +ALS.fr.present=1 +ALS.fr.syringe=10 +ALS.fr.volume=1 +ALS.bk.present=0 +ALS.bk.syringe=-1.79769313486232E+308 +ALS.bk.volume=-1.79769313486232E+308 +ALS.tray.present=1 +ALS.bcr.present=0 +gc.runlength=12.7142857142857 +gc.runtime=12.7136218667147 +gc.postrun=0 +gc.posttime=-1.79769313486232E+308 +gc.pressureunits=1 +Oven.T.state=1 +Oven.T.actual=261.0634831 +Oven.T.setpoint=30 +oven.T.ramp=30,30,4,35,300,1 +inlet.fr.T.state=1 +inlet.fr.T.actual=250.0537461 +inlet.fr.T.setpoint=250 +inlet.fr.column=1 +inlet.bk.T.state=-1.79769313486232E+308 +inlet.bk.T.actual=-1.79769313486232E+308 +inlet.bk.T.setpoint=-1.79769313486232E+308 +inlet.bk.column=-1.79769313486232E+308 +inlet.fr.gas=He +inlet.fr.p.actual=2535563 +inlet.fr.f.actual=-0.001675679204 +inlet.fr.mode=SPLIT +inlet.fr.splitratio=50 +inlet.bk.gas=!HW Item is not supported +inlet.bk.p.actual=-1.79769313486232E+308 +inlet.bk.f.actual=-1.79769313486232E+308 +inlet.bk.mode=!HW Item is not supported +inlet.bk.splitratio=-1.79769313486232E+308 +Column.1.F.actual=1.129051744 +Column.2.F.actual=1.504749344 +Column.3.F.actual=0 +Column.4.F.actual=0 +Column.5.F.actual=0 +Column.6.F.actual=0 +column.1.L=30 +column.1.D=0.00025 +column.1.t=2.5E-07 +column.1.max=325 +column.1.name=Agilent 19091S-433 +column.1.type=HP-5MS 5% Phenyl Methyl Silox +column.2.L=0.4 +column.2.D=0.0001 +column.2.t=0 +column.2.max=350 +column.2.name= +column.3.L=25 +column.3.D=0.00032 +column.3.t=0 +column.3.max=450 +column.3.name= +column.4.L=25 +column.4.D=0.00032 +column.4.t=0 +column.4.max=450 +column.4.name= +column.5.L=25 +column.5.D=0.00032 +column.5.t=0 +column.5.max=450 +column.5.name= +column.6.L=25 +column.6.D=0.00032 +column.6.t=0 +column.6.max=450 +column.6.name= +Column.1.description.Present=true +Column.1.description.NominalLength=30 +Column.1.description.NominalDiameter=0.00025 +Column.1.description.FilmThickness=2.5E-07 +Column.1.description.InletConnection=FRONT_INLET +Column.1.description.OutletConnection=AUX_PRESSURE_3 +Column.1.description.CalculatedLength=30 +Column.1.description.CalculatedDiameter=0.00025 +Column.1.description.CalibrationMode=UNCALIBRATED +Column.1.description.CalibrationDateTime=2000-01-02T00:00:00 +Column.1.description.ColumnMaxTemp=325 +Column.1.description.Name=Agilent 19091S-433 +Column.1.description.Type=HP-5MS 5% Phenyl Methyl Silox +Column.1.description.SerialNumber=93.92873 +Column.2.description.Present=true +Column.2.description.NominalLength=0.4 +Column.2.description.NominalDiameter=0.0001 +Column.2.description.FilmThickness=0 +Column.2.description.InletConnection=AUX_PRESSURE_3 +Column.2.description.OutletConnection=VACUUM +Column.2.description.CalculatedLength=0.4 +Column.2.description.CalculatedDiameter=0.0001 +Column.2.description.CalibrationMode=UNCALIBRATED +Column.2.description.CalibrationDateTime=2000-01-02T00:00:00 +Column.2.description.ColumnMaxTemp=350 +Column.2.description.Name= +Column.2.description.Type="" +Column.2.description.SerialNumber="" +Column.3.description.Present=true +Column.3.description.NominalLength=25 +Column.3.description.NominalDiameter=0.00032 +Column.3.description.FilmThickness=0 +Column.3.description.InletConnection=NONE +Column.3.description.OutletConnection=NONE +Column.3.description.CalculatedLength=25 +Column.3.description.CalculatedDiameter=0.00032 +Column.3.description.CalibrationMode=UNCALIBRATED +Column.3.description.CalibrationDateTime=2000-01-02T00:00:00 +Column.3.description.ColumnMaxTemp=450 +Column.3.description.Name= +Column.3.description.Type="" +Column.3.description.SerialNumber="" +Column.4.description.Present=true +Column.4.description.NominalLength=25 +Column.4.description.NominalDiameter=0.00032 +Column.4.description.FilmThickness=0 +Column.4.description.InletConnection=NONE +Column.4.description.OutletConnection=NONE +Column.4.description.CalculatedLength=25 +Column.4.description.CalculatedDiameter=0.00032 +Column.4.description.CalibrationMode=UNCALIBRATED +Column.4.description.CalibrationDateTime=2000-01-02T00:00:00 +Column.4.description.ColumnMaxTemp=450 +Column.4.description.Name= +Column.4.description.Type="" +Column.4.description.SerialNumber="" +Column.5.description.Present=true +Column.5.description.NominalLength=25 +Column.5.description.NominalDiameter=0.00032 +Column.5.description.FilmThickness=0 +Column.5.description.InletConnection=NONE +Column.5.description.OutletConnection=NONE +Column.5.description.CalculatedLength=25 +Column.5.description.CalculatedDiameter=0.00032 +Column.5.description.CalibrationMode=UNCALIBRATED +Column.5.description.CalibrationDateTime=2000-01-02T00:00:00 +Column.5.description.ColumnMaxTemp=450 +Column.5.description.Name= +Column.5.description.Type="" +Column.5.description.SerialNumber="" +Column.6.description.Present=true +Column.6.description.NominalLength=25 +Column.6.description.NominalDiameter=0.00032 +Column.6.description.FilmThickness=0 +Column.6.description.InletConnection=NONE +Column.6.description.OutletConnection=NONE +Column.6.description.CalculatedLength=25 +Column.6.description.CalculatedDiameter=0.00032 +Column.6.description.CalibrationMode=UNCALIBRATED +Column.6.description.CalibrationDateTime=2000-01-02T00:00:00 +Column.6.description.ColumnMaxTemp=450 +Column.6.description.Name= +Column.6.description.Type="" +Column.6.description.SerialNumber="" +det.fr.T.state=-1.79769313486232E+308 +det.fr.T.setpoint=-1.79769313486232E+308 +det.fr.T.actual=-1.79769313486232E+308 +det.fr.Signal.actual=-1.79769313486232E+308 +det.fr.Fuel.actual=-1.79769313486232E+308 +det.fr.Utility.actual=-1.79769313486232E+308 +det.fr.makeup.actual=-1.79769313486232E+308 +det.bk.T.state=-1.79769313486232E+308 +det.bk.T.setpoint=-1.79769313486232E+308 +det.bk.T.actual=-1.79769313486232E+308 +det.bk.Signal.actual=-1.79769313486232E+308 +det.bk.Fuel.actual=-1.79769313486232E+308 +det.bk.Utility.actual=-1.79769313486232E+308 +det.bk.makeup.actual=-1.79769313486232E+308 +det.aux.T.state=-1.79769313486232E+308 +det.aux.T.setpoint=-1.79769313486232E+308 +det.aux.T.actual=-1.79769313486232E+308 +det.aux.Signal.actual=-1.79769313486232E+308 +det.aux.Fuel.actual=-1.79769313486232E+308 +det.aux.Utility.actual=-1.79769313486232E+308 +det.aux.makeup.actual=-1.79769313486232E+308 +det.4th.T.state=-1.79769313486232E+308 +det.4th.T.setpoint=-1.79769313486232E+308 +det.4th.T.actual=-1.79769313486232E+308 +det.4th.Signal.actual=-1.79769313486232E+308 +det.4th.Fuel.actual=-1.79769313486232E+308 +det.4th.Utility.actual=-1.79769313486232E+308 +det.4th.makeup.actual=-1.79769313486232E+308 +AuxH.1.T.state=-1.79769313486232E+308 +AuxH.1.T.type=-1.79769313486232E+308 +AuxH.1.T.actual=-1.79769313486232E+308 +AuxH.1.T.setpoint=-1.79769313486232E+308 +AuxH.2.T.state=1 +AuxH.2.T.type=-1.79769313486232E+308 +AuxH.2.T.actual=280.0692598 +AuxH.2.T.setpoint=280 +AuxH.3.T.state=-1.79769313486232E+308 +AuxH.3.T.type=-1.79769313486232E+308 +AuxH.3.T.actual=-1.79769313486232E+308 +AuxH.3.T.setpoint=-1.79769313486232E+308 +rtlpressure=1377294.63663279 +rtlpressure.1=1377294.63663279 +rtlpressure.2=879395.685196652 +rtlpressure.3=-1.79769313486232E+308 +rtlpressure.4=-1.79769313486232E+308 +rtlpressure.5=-1.79769313486232E+308 +rtlpressure.6=-1.79769313486232E+308 +Valve.1.state=0 +Valve.2.state=0 +Valve.3.state=0 +Valve.4.state=0 +Valve.5.state=0 +Valve.6.state=0 +Valve.7.state=0 +Valve.8.state=0 +APC.1.A.P.actual=445569 +APC.1.B.P.actual=11222 +APC.1.C.P.actual=1447270 +APC.2.A.P.actual=-1.79769313486232E+308 +APC.2.B.P.actual=-1.79769313486232E+308 +APC.2.C.P.actual=-1.79769313486232E+308 +APC.3.A.P.actual=-1.79769313486232E+308 +APC.3.B.P.actual=-1.79769313486232E+308 +APC.3.C.P.actual=-1.79769313486232E+308 +APC.1.A.P.setpoint=689475.7 +APC.1.B.P.setpoint=689475.7 +APC.1.C.P.setpoint=879395.6852 +APC.2.A.P.setpoint=-1.79769313486232E+308 +APC.2.B.P.setpoint=-1.79769313486232E+308 +APC.2.C.P.setpoint=-1.79769313486232E+308 +APC.3.A.P.setpoint=-1.79769313486232E+308 +APC.3.B.P.setpoint=-1.79769313486232E+308 +APC.3.C.P.setpoint=-1.79769313486232E+308 +APC.1.A.gas=He +APC.1.B.gas=He +APC.1.C.gas=He +APC.2.A.gas=!HW Item is not supported +APC.2.B.gas=!HW Item is not supported +APC.2.C.gas=!HW Item is not supported +APC.3.A.gas=!HW Item is not supported +APC.3.B.gas=!HW Item is not supported +APC.3.C.gas=!HW Item is not supported +pcm.1.a.P.setpoint=-1.79769313486232E+308 +pcm.1.b.P.setpoint=-1.79769313486232E+308 +pcm.2.a.P.setpoint=-1.79769313486232E+308 +pcm.2.b.P.setpoint=-1.79769313486232E+308 +pcm.3.a.P.setpoint=-1.79769313486232E+308 +pcm.3.b.P.setpoint=-1.79769313486232E+308 +pcm.1.a.P.actual=-1.79769313486232E+308 +pcm.1.b.P.actual=-1.79769313486232E+308 +pcm.2.a.P.actual=-1.79769313486232E+308 +pcm.2.b.P.actual=-1.79769313486232E+308 +pcm.3.a.P.actual=-1.79769313486232E+308 +pcm.3.b.P.actual=-1.79769313486232E+308 +pcm.1.a.F.actual=-1.79769313486232E+308 +pcm.1.b.F.actual=-1.79769313486232E+308 +pcm.2.a.F.actual=-1.79769313486232E+308 +pcm.2.b.F.actual=-1.79769313486232E+308 +pcm.3.a.F.actual=-1.79769313486232E+308 +pcm.3.b.F.actual=-1.79769313486232E+308 +pcm.1.a.gas=-1.79769313486232E+308 +pcm.1.b.gas=-1.79769313486232E+308 +pcm.2.a.gas=-1.79769313486232E+308 +pcm.2.b.gas=-1.79769313486232E+308 +pcm.3.a.gas=-1.79769313486232E+308 +pcm.3.b.gas=-1.79769313486232E+308 +AuxP.1.P.actual=445595 +AuxP.2.P.actual=11222 +AuxP.3.P.actual=1428296 +AuxP.4.P.actual=-1.79769313486232E+308 +AuxP.5.P.actual=-1.79769313486232E+308 +AuxP.6.P.actual=-1.79769313486232E+308 +AuxP.7.P.actual=-1.79769313486232E+308 +AuxP.8.P.actual=-1.79769313486232E+308 +AuxP.9.P.actual=-1.79769313486232E+308 +Parameter name: APC.3.C.gas +Parameter name: APC.3.B.gas +Parameter name: APC.3.A.gas +Parameter name: APC.2.C.gas +Parameter name: APC.2.B.gas +Parameter name: APC.2.A.gas +Parameter name: inlet.bk.mode +Parameter name: inlet.bk.gas diff --git a/tests/test_readers/data/agilent_csv/RAU-R505-06.D/PRE_POST.INI b/tests/test_readers/data/agilent_csv/RAU-R505-06.D/PRE_POST.INI new file mode 100644 index 0000000..0cc79f2 --- /dev/null +++ b/tests/test_readers/data/agilent_csv/RAU-R505-06.D/PRE_POST.INI @@ -0,0 +1,115 @@ +[POSTRUN] +SOURCE=MS +Application=MassHunter GC/MS Acquisition B.07.06.2704 18-Jul-2017 Copyright © 1989-2017 Agilent Technologies, Inc. +Date=Thu Jun 06 16:55:55 2024 +SampleAmount=0 +Multiplier=1 +SmartCard=AGILENT TECHNOLOGIES,5977,US1827R022,6.00.34 +serial_n=US1827R022 +acqmode=0 +TuneName=ATUNE.U +TunePath=D:\MassHunter\GCMS\1\5977\ +TuneDate=20 Nov 2023 11:52 am +CImode=0 +CIpolarity=0 +SourceTemp=230 +QuadTemp=150 +Pressure=1.10E-05 +Matrix=1 +InitialAmt=1 +FinalAmt=1 +PrimaryFile=\data.ms +PrimaryType=hgfile +DataRecord=REV2:PARAFIT3 +SourceConf=101 +Observedm1=68.9963994372028 +Observedm2=218.954766989366 +Observedm3=502.003028423966 +Instrument Name=5977B MSD +controller=Top Sequence +timestamp=MS ChemStation +[Scan Parameters] +scanstart1=1 +lowmass1=45 +highmass1=550 +[TuneValues] +massgain=53 +massoffset=-26 +amugain=2335 +amuoffset=134.25 +dcpolarity=0 +emission=34.592541048648 +electron=70.0073246658121 +emvolts=1180.00366233291 +ACTUAL_EMVOLTS=1164.1 +GAIN FACTOR= 1.00 +entrance_lens=22.6722032242306 +filament=1 +ionfocus=90.3308509339519 +repeller=19.7593791966793 +entlensoffset=14.1102429495788 +[MS_Faults] +NUM_MS_Faults=0 +[firmware] +MSSC=6.00.34 +BSP=1.2/27.16T +HTTP=0.1 +LUI=04.32A.20160325 +[Type] +Type=1 +MHAcq=1 +[Sequence] +_methpath$=D:\MassHunter\GCMS\1\methods\ +_methfile$=Janis12min,1minsolventdelay.M +SeqFileName=D:\MassHunter\GCMS\1\sequence\IrisH.sequence.xml +[HW Config] +Smartcard=SC3.3 (SC33,40.0,32M,0K,64M,0x3722) +Sideboard=5975HI_SIDEBOARD +Log Amplifier=LOG02,121,54,2,CAL,y618051086 +Vacuum Pump=TURBO_PUMP +Vacuum Guage=HIVACGAUGE +CI Flow Control=NO_FCB +HES Driver PCA=SRC_PCA_TYPE_UNK +[Factors] +Mist=20 +Scan=NORM +A/Ds=16.00 +AVG.=1 +Samp=4 +Step=0.03 +Filter=Mass:ISTD +Qual=PARAFIT3 +SimSampPer=16 +Madly=800,9 +5975NoiseReduction=1 +5975EMSaver=-1 +LagFactors=-0.0285:8e-05:0 +tbyrst=40 +mbyrst=40 +tdomain=COEF,1.000000 +mdomain=-0.005964,-0.016017,0.008343,0.108516,0.247621 +[GainCoefficients] +Squared_=16.922441816685 +Linear__=48.3105062581599 +Constant=499.506255040877 +[Injection] +Tower=0 +F. SyringeVolume=10 +F. MethodVolume=1 +F. OverrideVolume=0 +R. SyringeVolume=0 +R. MethodVolume=0 +R. OverrideVolume=0 +Maxvial-1=150 +Maxvial-2=0 +Maxvial-3=0 +method specified sample prep= +[FC_VGauge] +CI=NO_FCB +Gauge=HIVACGAUGE +Pressure=1.1E-05 +[Compliance] +_iscompliant=0 +_isRandR=0 +_isSecureFS=0 +_isSecureRemoteFS=0 diff --git a/tests/test_readers/data/agilent_csv/RAU-R505-06.D/RESULTS.CSV b/tests/test_readers/data/agilent_csv/RAU-R505-06.D/RESULTS.CSV new file mode 100644 index 0000000..931bed5 --- /dev/null +++ b/tests/test_readers/data/agilent_csv/RAU-R505-06.D/RESULTS.CSV @@ -0,0 +1,11 @@ +[contents] +count=1 +Name=,D:\MassHunter\GCMS\1\data\Elizabeth\B06\24.06.06\RAU-R505-6.D +1=,INT TIC: RAU-R505-6.D\data.ms +[INT TIC: RAU-R505-6.D\data.ms] +Time=,Thu Jun 06 17:26:20 2024 +Header=,"Peak","R.T.","First","Max","Last","PK TY","Height","Area","Pct Max","Pct Total" +1=, 1, 6.055, 856, 860, 876," M ",1540125, 13328491,100.00, 43.534 +2=, 2, 6.301, 898, 903, 912," M ",1175980, 8797474, 66.01, 28.735 +3=, 3, 10.159, 1568,1571,1574," M2", 16748, 175681, 1.32, 0.574 +4=, 4, 10.288, 1590,1593,1606," M ", 653741, 8314705, 62.38, 27.158 diff --git a/tests/test_readers/data/agilent_csv/RAU-R505-06.D/TEMPBASE b/tests/test_readers/data/agilent_csv/RAU-R505-06.D/TEMPBASE new file mode 100644 index 0000000..e69de29 diff --git a/tests/test_readers/data/agilent_csv/RAU-R505-06.D/acqmeth.txt b/tests/test_readers/data/agilent_csv/RAU-R505-06.D/acqmeth.txt new file mode 100644 index 0000000..e3bcf71 Binary files /dev/null and b/tests/test_readers/data/agilent_csv/RAU-R505-06.D/acqmeth.txt differ diff --git a/tests/test_readers/data/agilent_csv/RAU-R505-06.D/checksum.xml b/tests/test_readers/data/agilent_csv/RAU-R505-06.D/checksum.xml new file mode 100644 index 0000000..080a3e4 --- /dev/null +++ b/tests/test_readers/data/agilent_csv/RAU-R505-06.D/checksum.xml @@ -0,0 +1,7 @@ + + + +
+ B0-5B-AA-C3-67-4F-7C-31-37-0E-A5-98-8D-70-E0-86-A6-E8-0D-63-EB-90-26-5F-88-DB-02-C4-5F-93-4C-71-B8-5C-1A-60-50-60-29-4B-DD-3D-4D-66-9C-6A-0E-8F-AD-C0-02-69-C6-B6-9B-F9-B8-3A-DB-30-C8-E6-21-CB +
+ \ No newline at end of file diff --git a/tests/test_readers/data/agilent_csv/RAU-R505-06.D/data.ms b/tests/test_readers/data/agilent_csv/RAU-R505-06.D/data.ms new file mode 100644 index 0000000..4db0392 Binary files /dev/null and b/tests/test_readers/data/agilent_csv/RAU-R505-06.D/data.ms differ diff --git a/tests/test_readers/data/agilent_csv/RAU-R505-06.D/rteres.txt b/tests/test_readers/data/agilent_csv/RAU-R505-06.D/rteres.txt new file mode 100644 index 0000000..3240113 --- /dev/null +++ b/tests/test_readers/data/agilent_csv/RAU-R505-06.D/rteres.txt @@ -0,0 +1,30 @@ + Area Percent Report + + Data Path : D:\MassHunter\GCMS\1\data\Elizabeth\B06\24.06.06\ + Data File : RAU-R505-6.D + Acq On : 06 Jun 2024 16:43 + Operator : Iris + Sample : RAU-R505-6 + Misc : + ALS Vial : 7 Sample Multiplier: 1 + + Integration Parameters: autoint1.e + Integrator: ChemStation + + Method : D:\MassHunter\GCMS\1\methods\Janis12min.M + Title : + + Signal : TIC: RAU-R505-6.D\data.ms + + peak R.T. first max last PK peak corr. corr. % of + # min scan scan scan TY height area % max. total + --- ----- ----- ---- ---- --- ------- ------- ------ ------- + 1 6.055 856 860 876 M 1540125 13328491 100.00% 43.534% + 2 6.301 898 903 912 M 1175980 8797474 66.01% 28.735% + 3 10.159 1568 1571 1574 M2 16748 175681 1.32% 0.574% + 4 10.288 1590 1593 1606 M 653741 8314705 62.38% 27.158% + + + Sum of corrected areas: 30616351 + +Janis12min.M Thu Jun 06 17:26:20 2024 diff --git a/tests/test_readers/data/agilent_csv/RAU-R505-06.D/runstart.txt b/tests/test_readers/data/agilent_csv/RAU-R505-06.D/runstart.txt new file mode 100644 index 0000000..c75712d --- /dev/null +++ b/tests/test_readers/data/agilent_csv/RAU-R505-06.D/runstart.txt @@ -0,0 +1,64 @@ + Critical RunStart CP Variables + +CP Variable = Value + + Front Injector Available(_turretfrontavail) = 1 + Rear Injector Available(_turretrearavail) = 0 + Dual Injector Available(_turretdualavail) = 0 + + Injection Source(_injsource) = 1 1,2,3,4,5,6=ALS,Man,Valve,Ext.,PAL,HS,MiniTD + _injloc (_injloc) = 1 + MSD Sample(_msinlet) = 1 1,2=sample1=Front,sample2=Rear + + _ptavail : 1 _dopretreat : 0 _pretreatpath$ : D:\MassHunter\GCMS\1\PreTreat\ + _pretreatfile$ : _pretreatmeth$ : + + _Overlapped _overlap _ALSNEXT, _ALSNEXT2, _Lastlap 0 0 8 8 0 + +_overlapped: Is method currently overlapping? 0 +_overlap: Is hw capable of overlapping? 0 +_alsnext: Next vial front inlet? 8 +_lastlap: Indicator for last entry in SLT 0 + + _seqcheckbar: 0 On Mismatch, Inject Anyway + _seqcheckbarnext: 0 + Expected BCs : 2: + + Next Expected BCs : 2: + + Previous _checkbar : 0 + Previous _barmismatch: 0 + +_maxvial[] 1=150 2=0 3=0 + +Front Sample + + Alsbottle (_alsbottle) = 7 + Methfile (_methfile$) = Janis12min,1minsolventdelay.M + Datafile(,_datafile$) = RAU-R505-6.D + Sample Name (_dataname$) = RAU-R505-6 + Exp. Barcode(_expbarcode$)= + Miscellaneous (_miscinfo$) = + Vol. Override (_injvol) = 0 + Method Volume (_methvol) = 1 + SyringeVolume (_syrvol) = 10 + SyringeVolLow (_syrvollow) = 0 + Multiplier (_multiplr) = 1 + Sample Amt (_sampamt) = 0 + + +Rear Sample + + Alsbottle(_alsbottle2) = 0 + Datafile(_datafile2$) = RAU-R505-6.D + Sample Name(_dataname2$) = RAU-R505-6 + Exp. Barcode(_expbarcode2$) = + Miscellaneous(_miscinfo2$) = + Vol. Override(_injvol2) = 0 + Method Volume(_methvol2) = 0 + SyringeVolume(_syrvol2) = 0 + SyringeVolLow(_syrvollow2) = 0 + Multiplier(_multiplr2) = 1 + Sample Amt(_sampamt2) = 0 + +Thu Jun 06 16:34:11 2024 diff --git a/tests/test_readers/data/agilent_csv/RAU-R505-06.D/tic_front.csv b/tests/test_readers/data/agilent_csv/RAU-R505-06.D/tic_front.csv new file mode 100644 index 0000000..7f39dc2 --- /dev/null +++ b/tests/test_readers/data/agilent_csv/RAU-R505-06.D/tic_front.csv @@ -0,0 +1,2014 @@ +D:\MassHunter\GCMS\1\data\Elizabeth\B06\24.06.06\RAU-R505-6.D 06 Jun 24 04:43 pm +Start of data points +1.09268,27418808 +1.09847,27740532 +1.10423,26672394 +1.11002,26039292 +1.11578,25287816 +1.12157,24877306 +1.12733,24274142 +1.13312,23808174 +1.1389,23311712 +1.14467,22972896 +1.15045,22754168 +1.15622,27628028 +1.162,660411 +1.16777,512426 +1.17355,447328 +1.17932,419799 +1.1851,481960 +1.19087,648772 +1.19665,969002 +1.20242,1329828 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index 0000000..d5e027a --- /dev/null +++ b/tests/test_readers/data/agilent_csv/RAU-R505-07.D/AcqData-CumulativeAuditTrail.xml @@ -0,0 +1,17 @@ + + + + 0 + WS-CZC83174R0 + system + 2024-06-06T16:56:12.1417278+02:00 + Data collection has been initiated. + + + 1 + WS-CZC83174R0 + system + 2024-06-06T17:17:47.5276287+02:00 + Data has been collected and saved. + + \ No newline at end of file diff --git a/tests/test_readers/data/agilent_csv/RAU-R505-07.D/AcqData/Contents.xml b/tests/test_readers/data/agilent_csv/RAU-R505-07.D/AcqData/Contents.xml new file mode 100644 index 0000000..4234b54 --- /dev/null +++ b/tests/test_readers/data/agilent_csv/RAU-R505-07.D/AcqData/Contents.xml @@ -0,0 +1,17 @@ + + + 3 + + + 2024-06-06T17:05:05.0113404+02:00 + + 2 + 5977B MSD + + 0 + + 2 + + 2 + MassHunter GC/MS Acquisition B.07.06.2704 18-Jul-2017 Copyright © 1989-2017 Agilent Technologies, Inc. + \ No newline at end of file diff --git a/tests/test_readers/data/agilent_csv/RAU-R505-07.D/AcqData/Devices.xml b/tests/test_readers/data/agilent_csv/RAU-R505-07.D/AcqData/Devices.xml new file mode 100644 index 0000000..0b92837 --- /dev/null +++ b/tests/test_readers/data/agilent_csv/RAU-R505-07.D/AcqData/Devices.xml @@ -0,0 +1,16 @@ + + + 1 + + SingleQuadrupole + 7.6.0.0 + 6.00.34 + 5977 + 1 + US1827R022 + 2 + 8 + 0 + 1 + + \ No newline at end of file diff --git a/tests/test_readers/data/agilent_csv/RAU-R505-07.D/AcqData/Janis12min,1minsolventdelay.M/acq.ms b/tests/test_readers/data/agilent_csv/RAU-R505-07.D/AcqData/Janis12min,1minsolventdelay.M/acq.ms new file mode 100644 index 0000000..2fcdc23 --- /dev/null +++ b/tests/test_readers/data/agilent_csv/RAU-R505-07.D/AcqData/Janis12min,1minsolventdelay.M/acq.ms @@ -0,0 +1,146 @@ +[Signature] +ID=00000000000000000000000000000000 + +[Version] +ID=G1701CA Version: C.00.00 + +[General] +Type=6 +Inlet=0 +Start Mode=0 +Run Duration=39000 +Solvent Delay=1 +Tune File=ATUNE.U +Group Ions=1 +Acq Mode=0 +Gauges=2 +Fast Scan=0 +TID=0 +EMSaver=0 + +[Zone 1] +ID=1 +On=1 +Soft Max=200 +Set Point=150 +Type=0 + +[Zone 2] +ID=0 +On=1 +Soft Max=250 +Set Point=230 +Type=0 + +[Zone 3] +ID=-1 +On=0 +Soft Max=0 +Set Point=0 +Type=0 + +[Ions 1] +Group Name=OFN-272-LR +Start Time=4.2 +Resolution=1 +Plot Index 1=0 +Number of Ions=1 +Ion 1=272.00,50 +Group EMV Setting=10 +Use Group EMV Setting=true +IonL1= + +[Scan 1] +Start Time=1 +Low Mass=45 +High Mass=550 +Threshold=150 +Sampling=4 +Low Plot 1= +Low Plot 2= +High Plot 1= +High Plot 2= + +[Scan 2] + +[Scan 3] + +[Filters] +Mass Type=0 +Mass Param=0 +Mass Sigma=0 +Time Type=0 +Time Param=0 +Time Sigma=0 + +[Plot] +Plot Type 1=0 +Time Plot 1=0 +Min Plot 1=0 +Max Plot 1=0 +Left Plot 1=0.000000 +Top Plot 1=0.085653 +Width Plot 1=0.520196 +Height Plot 1=0.625268 +Mode Plot 1=2 +Plot Type 2=2 +Time Plot 2=0 +Min Plot 2=0 +Max Plot 2=0 +Left Plot 2=0.198286 +Top Plot 2=0.197002 +Width Plot 2=0.499388 +Height Plot 2=0.501071 +Mode Plot 2=2 +X Gadget Pos 1=5 +Y Gadget Pos 1=230 +X Gadget Pos 2=130 +Y Gadget Pos 2=230 +Low Mass 1=1.6 +High Mass 1=1050 +Plot Label 1= +Low Mass 2=1.6 +High Mass 2=1050 +Plot Label 2= + +[Gauge1] +Type=2 +ID=1 +Display Type=0 +Left Plot=380 +Top Plot=230 +Alarm Error=100.00 +Alarm Warning=100.00 +Alarm Minimum=0.00 +Alarm Set=0 + +[Gauge2] +Type=2 +ID=0 +Display Type=0 +Left Plot=255 +Top Plot=230 +Alarm Error=100.00 +Alarm Warning=100.00 +Alarm Minimum=0.00 +Alarm Set=0 + + +[Parameters] +ID 1=7 +Mode 1=2 +Value 1=1.000000 +ID 2=-1 +Mode 2=0 +Value 2=0.000000 +[Time Events] +Number Events=0 +[SCIS] +H2FlowRate=0.13 +Emission=10 +SourceTemperature=230 +QuadrupoleTemperature=150 +Duration=1.3 +StabilizationDuration=0.166666666666667 +Filament=2 +Mode=None diff --git a/tests/test_readers/data/agilent_csv/RAU-R505-07.D/AcqData/MSPeak.bin b/tests/test_readers/data/agilent_csv/RAU-R505-07.D/AcqData/MSPeak.bin new file mode 100644 index 0000000..6d79c70 Binary files /dev/null and b/tests/test_readers/data/agilent_csv/RAU-R505-07.D/AcqData/MSPeak.bin differ diff --git a/tests/test_readers/data/agilent_csv/RAU-R505-07.D/AcqData/MSScan.bin b/tests/test_readers/data/agilent_csv/RAU-R505-07.D/AcqData/MSScan.bin new file mode 100644 index 0000000..0bfddf4 Binary files /dev/null and b/tests/test_readers/data/agilent_csv/RAU-R505-07.D/AcqData/MSScan.bin differ diff --git a/tests/test_readers/data/agilent_csv/RAU-R505-07.D/AcqData/MSScan.xsd b/tests/test_readers/data/agilent_csv/RAU-R505-07.D/AcqData/MSScan.xsd new file mode 100644 index 0000000..5157805 --- /dev/null +++ b/tests/test_readers/data/agilent_csv/RAU-R505-07.D/AcqData/MSScan.xsd @@ -0,0 +1,92 @@ + + + + + + + + MSScan binary file index record details + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + diff --git a/tests/test_readers/data/agilent_csv/RAU-R505-07.D/AcqData/MSTS.xml b/tests/test_readers/data/agilent_csv/RAU-R505-07.D/AcqData/MSTS.xml new file mode 100644 index 0000000..3de75d5 --- /dev/null +++ b/tests/test_readers/data/agilent_csv/RAU-R505-07.D/AcqData/MSTS.xml @@ -0,0 +1,14 @@ + + + 3 + + + 0 + + 650 + 2012 + + 0 + + 0 + \ No newline at end of file diff --git a/tests/test_readers/data/agilent_csv/RAU-R505-07.D/AcqData/sample_info.xml b/tests/test_readers/data/agilent_csv/RAU-R505-07.D/AcqData/sample_info.xml new file mode 100644 index 0000000..dda55cb --- /dev/null +++ b/tests/test_readers/data/agilent_csv/RAU-R505-07.D/AcqData/sample_info.xml @@ -0,0 +1,264 @@ + + 1.0 + + Dilution + Dilution + 1 + 8 + + + + + Inj Vol (µl) + Inj Vol (µl) + 1 + 8 + + + + + Wt/Vol + Wt/Vol + 0 + 8 + + + + + Sample ID + Sample ID + + + 8 + + + + + Sample Name + Sample Name + RAU-R505-7 + 8 + + + + + Sample Position + Sample Position + 8 + 8 + + + + + Sample Type + Sample Type + + + 8 + + + + + Data File + Data File + D:\MassHunter\GCMS\1\data\Elizabeth\B06\24.06.06\RAU-R505-7.D + 8 + + + + + Method + Method + D:\MassHunter\GCMS\1\methods\Janis12min,1minsolventdelay.M + 8 + + + + + Override DA Method + Override DA Method + + + 8 + + + + + Level Name + Level Name + + + 8 + + + + + Comment + Comment + + + 8 + + + + + Balance Override + Balance Override + + + 8 + + + + + Barcode + Barcode + + + 8 + + + + + Equilib Time (min) + Equilib Time (min) + 0 + 8 + + + + + Plate Code + Plate Code + + + 8 + + + + + Plate Position + Plate Position + + + 8 + + + + + Rack Code + Rack Code + + + 8 + + + + + Rack Position + Rack Position + + + 8 + + + + + 11315263865 + Expected Barcode + + + 8 + + + + + 21213505982 + Sample Amount + + + 8 + + + + + 31968214052 + Dual Inj Vol + 1 + 8 + + + + + 41972326307 + TuneName + ATUNE.U + 8 + + + + + 5652109680 + TunePath + D:\MassHunter\GCMS\1\5977\ + 8 + + + + + 6552318228 + TuneDateStamp + 2023-11-20T11:52:13+01:00 + 8 + + + + + 71896172085 + MSFirmwareVersion + 6.00.34 + 8 + + + + + OperatorName + OperatorName + Iris + 8 + + + + + AcqTime + AcqTime + 2024-06-06T17:05:05.0113404+02:00 + 8 + + + + + SampleLockedRunMode + SampleLockedRunMode + False + 8 + + + + + RunCompletedFlag + RunCompletedFlag + True + 8 + + + + + InstrumentName + InstrumentName + 5977B MSD + 8 + + + + \ No newline at end of file diff --git a/tests/test_readers/data/agilent_csv/RAU-R505-07.D/AcqData/sequence.xml b/tests/test_readers/data/agilent_csv/RAU-R505-07.D/AcqData/sequence.xml new file mode 100644 index 0000000..849590e --- /dev/null +++ b/tests/test_readers/data/agilent_csv/RAU-R505-07.D/AcqData/sequence.xml @@ -0,0 +1,57 @@ + + + 0 + 0 + Janis12min,1minsolventdelay + D:\MassHunter\GCMS\1\methods\ + + false + + + + RAU-R505-7 + D:\MassHunter\GCMS\1\data\Elizabeth\B06\24.06.06\ + 1 + false + + 8 + 0 + 0 + + 1 + 1 + 5977B MSD + SingleQuadrupole + + + + + false + + 2 + + + + RAU-R505-7 + dummy + + + Sample + + None + None + None + None + + + + + + + + + + + 8 + + \ No newline at end of file diff --git a/tests/test_readers/data/agilent_csv/RAU-R505-07.D/GC.ini b/tests/test_readers/data/agilent_csv/RAU-R505-07.D/GC.ini new file mode 100644 index 0000000..a058353 --- /dev/null +++ b/tests/test_readers/data/agilent_csv/RAU-R505-07.D/GC.ini @@ -0,0 +1,284 @@ +[7890 DriverItem] +gc.fw=B.02.05.1 +gc.sn=CN18333156 +gc.ready=3 +gc.status=1 +ALS.fr.present=1 +ALS.fr.syringe=10 +ALS.fr.volume=1 +ALS.bk.present=0 +ALS.bk.syringe=-1.79769313486232E+308 +ALS.bk.volume=-1.79769313486232E+308 +ALS.tray.present=1 +ALS.bcr.present=0 +gc.runlength=12.7142857142857 +gc.runtime=12.7136124832905 +gc.postrun=0 +gc.posttime=-1.79769313486232E+308 +gc.pressureunits=1 +Oven.T.state=1 +Oven.T.actual=262.1813701 +Oven.T.setpoint=30 +oven.T.ramp=30,30,4,35,300,1 +inlet.fr.T.state=1 +inlet.fr.T.actual=250.0459456 +inlet.fr.T.setpoint=250 +inlet.fr.column=1 +inlet.bk.T.state=-1.79769313486232E+308 +inlet.bk.T.actual=-1.79769313486232E+308 +inlet.bk.T.setpoint=-1.79769313486232E+308 +inlet.bk.column=-1.79769313486232E+308 +inlet.fr.gas=He +inlet.fr.p.actual=2385568 +inlet.fr.f.actual=23.10445546 +inlet.fr.mode=SPLIT +inlet.fr.splitratio=50 +inlet.bk.gas=!HW Item is not supported +inlet.bk.p.actual=-1.79769313486232E+308 +inlet.bk.f.actual=-1.79769313486232E+308 +inlet.bk.mode=!HW Item is not supported +inlet.bk.splitratio=-1.79769313486232E+308 +Column.1.F.actual=0.9869515204 +Column.2.F.actual=1.505230777 +Column.3.F.actual=0 +Column.4.F.actual=0 +Column.5.F.actual=0 +Column.6.F.actual=0 +column.1.L=30 +column.1.D=0.00025 +column.1.t=2.5E-07 +column.1.max=325 +column.1.name=Agilent 19091S-433 +column.1.type=HP-5MS 5% Phenyl Methyl Silox +column.2.L=0.4 +column.2.D=0.0001 +column.2.t=0 +column.2.max=350 +column.2.name= +column.3.L=25 +column.3.D=0.00032 +column.3.t=0 +column.3.max=450 +column.3.name= +column.4.L=25 +column.4.D=0.00032 +column.4.t=0 +column.4.max=450 +column.4.name= +column.5.L=25 +column.5.D=0.00032 +column.5.t=0 +column.5.max=450 +column.5.name= +column.6.L=25 +column.6.D=0.00032 +column.6.t=0 +column.6.max=450 +column.6.name= +Column.1.description.Present=true +Column.1.description.NominalLength=30 +Column.1.description.NominalDiameter=0.00025 +Column.1.description.FilmThickness=2.5E-07 +Column.1.description.InletConnection=FRONT_INLET +Column.1.description.OutletConnection=AUX_PRESSURE_3 +Column.1.description.CalculatedLength=30 +Column.1.description.CalculatedDiameter=0.00025 +Column.1.description.CalibrationMode=UNCALIBRATED +Column.1.description.CalibrationDateTime=2000-01-02T00:00:00 +Column.1.description.ColumnMaxTemp=325 +Column.1.description.Name=Agilent 19091S-433 +Column.1.description.Type=HP-5MS 5% Phenyl Methyl Silox +Column.1.description.SerialNumber=93.92873 +Column.2.description.Present=true +Column.2.description.NominalLength=0.4 +Column.2.description.NominalDiameter=0.0001 +Column.2.description.FilmThickness=0 +Column.2.description.InletConnection=AUX_PRESSURE_3 +Column.2.description.OutletConnection=VACUUM +Column.2.description.CalculatedLength=0.4 +Column.2.description.CalculatedDiameter=0.0001 +Column.2.description.CalibrationMode=UNCALIBRATED +Column.2.description.CalibrationDateTime=2000-01-02T00:00:00 +Column.2.description.ColumnMaxTemp=350 +Column.2.description.Name= +Column.2.description.Type="" +Column.2.description.SerialNumber="" +Column.3.description.Present=true +Column.3.description.NominalLength=25 +Column.3.description.NominalDiameter=0.00032 +Column.3.description.FilmThickness=0 +Column.3.description.InletConnection=NONE +Column.3.description.OutletConnection=NONE +Column.3.description.CalculatedLength=25 +Column.3.description.CalculatedDiameter=0.00032 +Column.3.description.CalibrationMode=UNCALIBRATED +Column.3.description.CalibrationDateTime=2000-01-02T00:00:00 +Column.3.description.ColumnMaxTemp=450 +Column.3.description.Name= +Column.3.description.Type="" +Column.3.description.SerialNumber="" +Column.4.description.Present=true +Column.4.description.NominalLength=25 +Column.4.description.NominalDiameter=0.00032 +Column.4.description.FilmThickness=0 +Column.4.description.InletConnection=NONE +Column.4.description.OutletConnection=NONE +Column.4.description.CalculatedLength=25 +Column.4.description.CalculatedDiameter=0.00032 +Column.4.description.CalibrationMode=UNCALIBRATED +Column.4.description.CalibrationDateTime=2000-01-02T00:00:00 +Column.4.description.ColumnMaxTemp=450 +Column.4.description.Name= +Column.4.description.Type="" +Column.4.description.SerialNumber="" +Column.5.description.Present=true +Column.5.description.NominalLength=25 +Column.5.description.NominalDiameter=0.00032 +Column.5.description.FilmThickness=0 +Column.5.description.InletConnection=NONE +Column.5.description.OutletConnection=NONE +Column.5.description.CalculatedLength=25 +Column.5.description.CalculatedDiameter=0.00032 +Column.5.description.CalibrationMode=UNCALIBRATED +Column.5.description.CalibrationDateTime=2000-01-02T00:00:00 +Column.5.description.ColumnMaxTemp=450 +Column.5.description.Name= +Column.5.description.Type="" +Column.5.description.SerialNumber="" +Column.6.description.Present=true +Column.6.description.NominalLength=25 +Column.6.description.NominalDiameter=0.00032 +Column.6.description.FilmThickness=0 +Column.6.description.InletConnection=NONE +Column.6.description.OutletConnection=NONE +Column.6.description.CalculatedLength=25 +Column.6.description.CalculatedDiameter=0.00032 +Column.6.description.CalibrationMode=UNCALIBRATED +Column.6.description.CalibrationDateTime=2000-01-02T00:00:00 +Column.6.description.ColumnMaxTemp=450 +Column.6.description.Name= +Column.6.description.Type="" +Column.6.description.SerialNumber="" +det.fr.T.state=-1.79769313486232E+308 +det.fr.T.setpoint=-1.79769313486232E+308 +det.fr.T.actual=-1.79769313486232E+308 +det.fr.Signal.actual=-1.79769313486232E+308 +det.fr.Fuel.actual=-1.79769313486232E+308 +det.fr.Utility.actual=-1.79769313486232E+308 +det.fr.makeup.actual=-1.79769313486232E+308 +det.bk.T.state=-1.79769313486232E+308 +det.bk.T.setpoint=-1.79769313486232E+308 +det.bk.T.actual=-1.79769313486232E+308 +det.bk.Signal.actual=-1.79769313486232E+308 +det.bk.Fuel.actual=-1.79769313486232E+308 +det.bk.Utility.actual=-1.79769313486232E+308 +det.bk.makeup.actual=-1.79769313486232E+308 +det.aux.T.state=-1.79769313486232E+308 +det.aux.T.setpoint=-1.79769313486232E+308 +det.aux.T.actual=-1.79769313486232E+308 +det.aux.Signal.actual=-1.79769313486232E+308 +det.aux.Fuel.actual=-1.79769313486232E+308 +det.aux.Utility.actual=-1.79769313486232E+308 +det.aux.makeup.actual=-1.79769313486232E+308 +det.4th.T.state=-1.79769313486232E+308 +det.4th.T.setpoint=-1.79769313486232E+308 +det.4th.T.actual=-1.79769313486232E+308 +det.4th.Signal.actual=-1.79769313486232E+308 +det.4th.Fuel.actual=-1.79769313486232E+308 +det.4th.Utility.actual=-1.79769313486232E+308 +det.4th.makeup.actual=-1.79769313486232E+308 +AuxH.1.T.state=-1.79769313486232E+308 +AuxH.1.T.type=-1.79769313486232E+308 +AuxH.1.T.actual=-1.79769313486232E+308 +AuxH.1.T.setpoint=-1.79769313486232E+308 +AuxH.2.T.state=1 +AuxH.2.T.type=-1.79769313486232E+308 +AuxH.2.T.actual=280.1256419 +AuxH.2.T.setpoint=280 +AuxH.3.T.state=-1.79769313486232E+308 +AuxH.3.T.type=-1.79769313486232E+308 +AuxH.3.T.actual=-1.79769313486232E+308 +AuxH.3.T.setpoint=-1.79769313486232E+308 +rtlpressure=1377294.63663279 +rtlpressure.1=1377294.63663279 +rtlpressure.2=879395.685196652 +rtlpressure.3=-1.79769313486232E+308 +rtlpressure.4=-1.79769313486232E+308 +rtlpressure.5=-1.79769313486232E+308 +rtlpressure.6=-1.79769313486232E+308 +Valve.1.state=0 +Valve.2.state=0 +Valve.3.state=0 +Valve.4.state=0 +Valve.5.state=0 +Valve.6.state=0 +Valve.7.state=0 +Valve.8.state=0 +APC.1.A.P.actual=445718 +APC.1.B.P.actual=11443 +APC.1.C.P.actual=1449731 +APC.2.A.P.actual=-1.79769313486232E+308 +APC.2.B.P.actual=-1.79769313486232E+308 +APC.2.C.P.actual=-1.79769313486232E+308 +APC.3.A.P.actual=-1.79769313486232E+308 +APC.3.B.P.actual=-1.79769313486232E+308 +APC.3.C.P.actual=-1.79769313486232E+308 +APC.1.A.P.setpoint=689475.7 +APC.1.B.P.setpoint=689475.7 +APC.1.C.P.setpoint=879395.6852 +APC.2.A.P.setpoint=-1.79769313486232E+308 +APC.2.B.P.setpoint=-1.79769313486232E+308 +APC.2.C.P.setpoint=-1.79769313486232E+308 +APC.3.A.P.setpoint=-1.79769313486232E+308 +APC.3.B.P.setpoint=-1.79769313486232E+308 +APC.3.C.P.setpoint=-1.79769313486232E+308 +APC.1.A.gas=He +APC.1.B.gas=He +APC.1.C.gas=He +APC.2.A.gas=!HW Item is not supported +APC.2.B.gas=!HW Item is not supported +APC.2.C.gas=!HW Item is not supported +APC.3.A.gas=!HW Item is not supported +APC.3.B.gas=!HW Item is not supported +APC.3.C.gas=!HW Item is not supported +pcm.1.a.P.setpoint=-1.79769313486232E+308 +pcm.1.b.P.setpoint=-1.79769313486232E+308 +pcm.2.a.P.setpoint=-1.79769313486232E+308 +pcm.2.b.P.setpoint=-1.79769313486232E+308 +pcm.3.a.P.setpoint=-1.79769313486232E+308 +pcm.3.b.P.setpoint=-1.79769313486232E+308 +pcm.1.a.P.actual=-1.79769313486232E+308 +pcm.1.b.P.actual=-1.79769313486232E+308 +pcm.2.a.P.actual=-1.79769313486232E+308 +pcm.2.b.P.actual=-1.79769313486232E+308 +pcm.3.a.P.actual=-1.79769313486232E+308 +pcm.3.b.P.actual=-1.79769313486232E+308 +pcm.1.a.F.actual=-1.79769313486232E+308 +pcm.1.b.F.actual=-1.79769313486232E+308 +pcm.2.a.F.actual=-1.79769313486232E+308 +pcm.2.b.F.actual=-1.79769313486232E+308 +pcm.3.a.F.actual=-1.79769313486232E+308 +pcm.3.b.F.actual=-1.79769313486232E+308 +pcm.1.a.gas=-1.79769313486232E+308 +pcm.1.b.gas=-1.79769313486232E+308 +pcm.2.a.gas=-1.79769313486232E+308 +pcm.2.b.gas=-1.79769313486232E+308 +pcm.3.a.gas=-1.79769313486232E+308 +pcm.3.b.gas=-1.79769313486232E+308 +AuxP.1.P.actual=445740 +AuxP.2.P.actual=11452 +AuxP.3.P.actual=1430773 +AuxP.4.P.actual=-1.79769313486232E+308 +AuxP.5.P.actual=-1.79769313486232E+308 +AuxP.6.P.actual=-1.79769313486232E+308 +AuxP.7.P.actual=-1.79769313486232E+308 +AuxP.8.P.actual=-1.79769313486232E+308 +AuxP.9.P.actual=-1.79769313486232E+308 +Parameter name: APC.3.C.gas +Parameter name: APC.3.B.gas +Parameter name: APC.3.A.gas +Parameter name: APC.2.C.gas +Parameter name: APC.2.B.gas +Parameter name: APC.2.A.gas +Parameter name: inlet.bk.mode +Parameter name: inlet.bk.gas diff --git a/tests/test_readers/data/agilent_csv/RAU-R505-07.D/PRE_POST.INI b/tests/test_readers/data/agilent_csv/RAU-R505-07.D/PRE_POST.INI new file mode 100644 index 0000000..8b37ed5 --- /dev/null +++ b/tests/test_readers/data/agilent_csv/RAU-R505-07.D/PRE_POST.INI @@ -0,0 +1,115 @@ +[POSTRUN] +SOURCE=MS +Application=MassHunter GC/MS Acquisition B.07.06.2704 18-Jul-2017 Copyright © 1989-2017 Agilent Technologies, Inc. +Date=Thu Jun 06 17:17:50 2024 +SampleAmount=0 +Multiplier=1 +SmartCard=AGILENT TECHNOLOGIES,5977,US1827R022,6.00.34 +serial_n=US1827R022 +acqmode=0 +TuneName=ATUNE.U +TunePath=D:\MassHunter\GCMS\1\5977\ +TuneDate=20 Nov 2023 11:52 am +CImode=0 +CIpolarity=0 +SourceTemp=230 +QuadTemp=150 +Pressure=1.10E-05 +Matrix=1 +InitialAmt=1 +FinalAmt=1 +PrimaryFile=\data.ms +PrimaryType=hgfile +DataRecord=REV2:PARAFIT3 +SourceConf=101 +Observedm1=68.9963994372028 +Observedm2=218.954766989366 +Observedm3=502.003028423966 +Instrument Name=5977B MSD +controller=Top Sequence +timestamp=MS ChemStation +[Scan Parameters] +scanstart1=1 +lowmass1=45 +highmass1=550 +[TuneValues] +massgain=53 +massoffset=-26 +amugain=2335 +amuoffset=134.25 +dcpolarity=0 +emission=34.592541048648 +electron=70.0073246658121 +emvolts=1180.00366233291 +ACTUAL_EMVOLTS=1164.1 +GAIN FACTOR= 1.00 +entrance_lens=22.6722032242306 +filament=1 +ionfocus=90.3308509339519 +repeller=19.7593791966793 +entlensoffset=14.1102429495788 +[MS_Faults] +NUM_MS_Faults=0 +[firmware] +MSSC=6.00.34 +BSP=1.2/27.16T +HTTP=0.1 +LUI=04.32A.20160325 +[Type] +Type=1 +MHAcq=1 +[Sequence] +_methpath$=D:\MassHunter\GCMS\1\methods\ +_methfile$=Janis12min,1minsolventdelay.M +SeqFileName=D:\MassHunter\GCMS\1\sequence\IrisH.sequence.xml +[HW Config] +Smartcard=SC3.3 (SC33,40.0,32M,0K,64M,0x3722) +Sideboard=5975HI_SIDEBOARD +Log Amplifier=LOG02,121,54,2,CAL,y618051086 +Vacuum Pump=TURBO_PUMP +Vacuum Guage=HIVACGAUGE +CI Flow Control=NO_FCB +HES Driver PCA=SRC_PCA_TYPE_UNK +[Factors] +Mist=20 +Scan=NORM +A/Ds=16.00 +AVG.=1 +Samp=4 +Step=0.03 +Filter=Mass:ISTD +Qual=PARAFIT3 +SimSampPer=16 +Madly=800,9 +5975NoiseReduction=1 +5975EMSaver=-1 +LagFactors=-0.0285:8e-05:0 +tbyrst=40 +mbyrst=40 +tdomain=COEF,1.000000 +mdomain=-0.005964,-0.016017,0.008343,0.108516,0.247621 +[GainCoefficients] +Squared_=16.922441816685 +Linear__=48.3105062581599 +Constant=499.506255040877 +[Injection] +Tower=0 +F. SyringeVolume=10 +F. MethodVolume=1 +F. OverrideVolume=0 +R. SyringeVolume=0 +R. MethodVolume=0 +R. OverrideVolume=0 +Maxvial-1=150 +Maxvial-2=0 +Maxvial-3=0 +method specified sample prep= +[FC_VGauge] +CI=NO_FCB +Gauge=HIVACGAUGE +Pressure=1.1E-05 +[Compliance] +_iscompliant=0 +_isRandR=0 +_isSecureFS=0 +_isSecureRemoteFS=0 diff --git a/tests/test_readers/data/agilent_csv/RAU-R505-07.D/RESULTS.CSV b/tests/test_readers/data/agilent_csv/RAU-R505-07.D/RESULTS.CSV new file mode 100644 index 0000000..2c98195 --- /dev/null +++ b/tests/test_readers/data/agilent_csv/RAU-R505-07.D/RESULTS.CSV @@ -0,0 +1,11 @@ +[contents] +count=1 +Name=,D:\MassHunter\GCMS\1\data\Elizabeth\B06\24.06.06\RAU-R505-7.D +1=,INT TIC: RAU-R505-7.D\data.ms +[INT TIC: RAU-R505-7.D\data.ms] +Time=,Thu Jun 06 17:26:41 2024 +Header=,"Peak","R.T.","First","Max","Last","PK TY","Height","Area","Pct Max","Pct Total" +1=, 1, 6.055, 856, 860, 874," M ",1525536, 12877459,100.00, 40.791 +2=, 2, 6.301, 898, 903, 909," M ",1148082, 8761016, 68.03, 27.752 +3=, 3, 10.158, 1570,1571,1574," M2", 21420, 203184, 1.58, 0.644 +4=, 4, 10.288, 1590,1593,1604," M ", 854640, 9727602, 75.54, 30.814 diff --git a/tests/test_readers/data/agilent_csv/RAU-R505-07.D/TEMPBASE b/tests/test_readers/data/agilent_csv/RAU-R505-07.D/TEMPBASE new file mode 100644 index 0000000..e69de29 diff --git a/tests/test_readers/data/agilent_csv/RAU-R505-07.D/acqmeth.txt b/tests/test_readers/data/agilent_csv/RAU-R505-07.D/acqmeth.txt new file mode 100644 index 0000000..7cb5d86 Binary files /dev/null and b/tests/test_readers/data/agilent_csv/RAU-R505-07.D/acqmeth.txt differ diff --git a/tests/test_readers/data/agilent_csv/RAU-R505-07.D/checksum.xml b/tests/test_readers/data/agilent_csv/RAU-R505-07.D/checksum.xml new file mode 100644 index 0000000..db38044 --- /dev/null +++ b/tests/test_readers/data/agilent_csv/RAU-R505-07.D/checksum.xml @@ -0,0 +1,7 @@ + + + +
+ 6B-24-5E-6B-CC-96-57-24-D5-61-9E-86-34-78-08-0B-8A-75-21-58-7D-46-9B-21-B8-5C-84-BD-6A-79-CA-3C-26-0A-36-8E-D0-43-62-9C-D1-4D-1C-09-98-28-5B-F9-B4-F0-FD-CF-2E-92-A4-90-92-44-1D-C3-20-73-B0-A0 +
+ \ No newline at end of file diff --git a/tests/test_readers/data/agilent_csv/RAU-R505-07.D/data.ms b/tests/test_readers/data/agilent_csv/RAU-R505-07.D/data.ms new file mode 100644 index 0000000..d7e5e9d Binary files /dev/null and b/tests/test_readers/data/agilent_csv/RAU-R505-07.D/data.ms differ diff --git a/tests/test_readers/data/agilent_csv/RAU-R505-07.D/rteres.txt b/tests/test_readers/data/agilent_csv/RAU-R505-07.D/rteres.txt new file mode 100644 index 0000000..ec10329 --- /dev/null +++ b/tests/test_readers/data/agilent_csv/RAU-R505-07.D/rteres.txt @@ -0,0 +1,30 @@ + Area Percent Report + + Data Path : D:\MassHunter\GCMS\1\data\Elizabeth\B06\24.06.06\ + Data File : RAU-R505-7.D + Acq On : 06 Jun 2024 17:05 + Operator : Iris + Sample : RAU-R505-7 + Misc : + ALS Vial : 8 Sample Multiplier: 1 + + Integration Parameters: autoint1.e + Integrator: ChemStation + + Method : D:\MassHunter\GCMS\1\methods\Janis12min.M + Title : + + Signal : TIC: RAU-R505-7.D\data.ms + + peak R.T. first max last PK peak corr. corr. % of + # min scan scan scan TY height area % max. total + --- ----- ----- ---- ---- --- ------- ------- ------ ------- + 1 6.055 856 860 874 M 1525536 12877459 100.00% 40.791% + 2 6.301 898 903 909 M 1148082 8761016 68.03% 27.752% + 3 10.158 1570 1571 1574 M2 21420 203184 1.58% 0.644% + 4 10.288 1590 1593 1604 M 854640 9727602 75.54% 30.814% + + + Sum of corrected areas: 31569260 + +Janis12min.M Thu Jun 06 17:26:41 2024 diff --git a/tests/test_readers/data/agilent_csv/RAU-R505-07.D/runstart.txt b/tests/test_readers/data/agilent_csv/RAU-R505-07.D/runstart.txt new file mode 100644 index 0000000..0e5b0aa --- /dev/null +++ b/tests/test_readers/data/agilent_csv/RAU-R505-07.D/runstart.txt @@ -0,0 +1,64 @@ + Critical RunStart CP Variables + +CP Variable = Value + + Front Injector Available(_turretfrontavail) = 1 + Rear Injector Available(_turretrearavail) = 0 + Dual Injector Available(_turretdualavail) = 0 + + Injection Source(_injsource) = 1 1,2,3,4,5,6=ALS,Man,Valve,Ext.,PAL,HS,MiniTD + _injloc (_injloc) = 1 + MSD Sample(_msinlet) = 1 1,2=sample1=Front,sample2=Rear + + _ptavail : 1 _dopretreat : 0 _pretreatpath$ : D:\MassHunter\GCMS\1\PreTreat\ + _pretreatfile$ : _pretreatmeth$ : + + _Overlapped _overlap _ALSNEXT, _ALSNEXT2, _Lastlap 0 0 9 9 0 + +_overlapped: Is method currently overlapping? 0 +_overlap: Is hw capable of overlapping? 0 +_alsnext: Next vial front inlet? 9 +_lastlap: Indicator for last entry in SLT 0 + + _seqcheckbar: 0 On Mismatch, Inject Anyway + _seqcheckbarnext: 0 + Expected BCs : 2: + + Next Expected BCs : 2: + + Previous _checkbar : 0 + Previous _barmismatch: 0 + +_maxvial[] 1=150 2=0 3=0 + +Front Sample + + Alsbottle (_alsbottle) = 8 + Methfile (_methfile$) = Janis12min,1minsolventdelay.M + Datafile(,_datafile$) = RAU-R505-7.D + Sample Name (_dataname$) = RAU-R505-7 + Exp. Barcode(_expbarcode$)= + Miscellaneous (_miscinfo$) = + Vol. Override (_injvol) = 0 + Method Volume (_methvol) = 1 + SyringeVolume (_syrvol) = 10 + SyringeVolLow (_syrvollow) = 0 + Multiplier (_multiplr) = 1 + Sample Amt (_sampamt) = 0 + + +Rear Sample + + Alsbottle(_alsbottle2) = 0 + Datafile(_datafile2$) = RAU-R505-7.D + Sample Name(_dataname2$) = RAU-R505-7 + Exp. Barcode(_expbarcode2$) = + Miscellaneous(_miscinfo2$) = + Vol. Override(_injvol2) = 0 + Method Volume(_methvol2) = 0 + SyringeVolume(_syrvol2) = 0 + SyringeVolLow(_syrvollow2) = 0 + Multiplier(_multiplr2) = 1 + Sample Amt(_sampamt2) = 0 + +Thu Jun 06 16:56:11 2024 diff --git a/tests/test_readers/data/agilent_csv/RAU-R505-07.D/tic_front.csv b/tests/test_readers/data/agilent_csv/RAU-R505-07.D/tic_front.csv new file mode 100644 index 0000000..7b7d5bb --- /dev/null +++ b/tests/test_readers/data/agilent_csv/RAU-R505-07.D/tic_front.csv @@ -0,0 +1,2014 @@ +D:\MassHunter\GCMS\1\data\Elizabeth\B06\24.06.06\RAU-R505-7.D 06 Jun 24 05:05 pm +Start of data points +1.09303,28236828 +1.0988,27622368 +1.10458,26775674 +1.11035,26013082 +1.11613,25564662 +1.1219,24748792 +1.12768,24361228 +1.13345,23849994 +1.13923,23315242 +1.145,23031068 +1.15078,22896882 +1.15655,26669028 +1.16233,661555 +1.1681,526389 +1.17388,462694 +1.17965,443652 +1.18543,501099 +1.1912,682791 +1.19698,1017951 +1.20275,1372483 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b/tests/test_readers/data/agilent_csv/RAU-R505-08.D/AcqData-CumulativeAuditTrail.xml @@ -0,0 +1,17 @@ + + + + 0 + WS-CZC83174R0 + system + 2024-06-06T17:18:06.7418512+02:00 + Data collection has been initiated. + + + 1 + WS-CZC83174R0 + system + 2024-06-06T17:39:49.9965751+02:00 + Data has been collected and saved. + + \ No newline at end of file diff --git a/tests/test_readers/data/agilent_csv/RAU-R505-08.D/AcqData/Contents.xml b/tests/test_readers/data/agilent_csv/RAU-R505-08.D/AcqData/Contents.xml new file mode 100644 index 0000000..39150ee --- /dev/null +++ b/tests/test_readers/data/agilent_csv/RAU-R505-08.D/AcqData/Contents.xml @@ -0,0 +1,17 @@ + + + 3 + + + 2024-06-06T17:27:07.8468782+02:00 + + 2 + 5977B MSD + + 0 + + 2 + + 2 + MassHunter GC/MS Acquisition B.07.06.2704 18-Jul-2017 Copyright © 1989-2017 Agilent Technologies, Inc. + \ No newline at end of file diff --git a/tests/test_readers/data/agilent_csv/RAU-R505-08.D/AcqData/Devices.xml b/tests/test_readers/data/agilent_csv/RAU-R505-08.D/AcqData/Devices.xml new file mode 100644 index 0000000..0b92837 --- /dev/null +++ b/tests/test_readers/data/agilent_csv/RAU-R505-08.D/AcqData/Devices.xml @@ -0,0 +1,16 @@ + + + 1 + + SingleQuadrupole + 7.6.0.0 + 6.00.34 + 5977 + 1 + US1827R022 + 2 + 8 + 0 + 1 + + \ No newline at end of file diff --git a/tests/test_readers/data/agilent_csv/RAU-R505-08.D/AcqData/Janis12min,1minsolventdelay.M/acq.ms b/tests/test_readers/data/agilent_csv/RAU-R505-08.D/AcqData/Janis12min,1minsolventdelay.M/acq.ms new file mode 100644 index 0000000..2fcdc23 --- /dev/null +++ b/tests/test_readers/data/agilent_csv/RAU-R505-08.D/AcqData/Janis12min,1minsolventdelay.M/acq.ms @@ -0,0 +1,146 @@ +[Signature] +ID=00000000000000000000000000000000 + +[Version] +ID=G1701CA Version: C.00.00 + +[General] +Type=6 +Inlet=0 +Start Mode=0 +Run Duration=39000 +Solvent Delay=1 +Tune File=ATUNE.U +Group Ions=1 +Acq Mode=0 +Gauges=2 +Fast Scan=0 +TID=0 +EMSaver=0 + +[Zone 1] +ID=1 +On=1 +Soft Max=200 +Set Point=150 +Type=0 + +[Zone 2] +ID=0 +On=1 +Soft Max=250 +Set Point=230 +Type=0 + +[Zone 3] +ID=-1 +On=0 +Soft Max=0 +Set Point=0 +Type=0 + +[Ions 1] +Group Name=OFN-272-LR +Start Time=4.2 +Resolution=1 +Plot Index 1=0 +Number of Ions=1 +Ion 1=272.00,50 +Group EMV Setting=10 +Use Group EMV Setting=true +IonL1= + +[Scan 1] +Start Time=1 +Low Mass=45 +High Mass=550 +Threshold=150 +Sampling=4 +Low Plot 1= +Low Plot 2= +High Plot 1= +High Plot 2= + +[Scan 2] + +[Scan 3] + +[Filters] +Mass Type=0 +Mass Param=0 +Mass Sigma=0 +Time Type=0 +Time Param=0 +Time Sigma=0 + +[Plot] +Plot Type 1=0 +Time Plot 1=0 +Min Plot 1=0 +Max Plot 1=0 +Left Plot 1=0.000000 +Top Plot 1=0.085653 +Width Plot 1=0.520196 +Height Plot 1=0.625268 +Mode Plot 1=2 +Plot Type 2=2 +Time Plot 2=0 +Min Plot 2=0 +Max Plot 2=0 +Left Plot 2=0.198286 +Top Plot 2=0.197002 +Width Plot 2=0.499388 +Height Plot 2=0.501071 +Mode Plot 2=2 +X Gadget Pos 1=5 +Y Gadget Pos 1=230 +X Gadget Pos 2=130 +Y Gadget Pos 2=230 +Low Mass 1=1.6 +High Mass 1=1050 +Plot Label 1= +Low Mass 2=1.6 +High Mass 2=1050 +Plot Label 2= + +[Gauge1] +Type=2 +ID=1 +Display Type=0 +Left Plot=380 +Top Plot=230 +Alarm Error=100.00 +Alarm Warning=100.00 +Alarm Minimum=0.00 +Alarm Set=0 + +[Gauge2] +Type=2 +ID=0 +Display Type=0 +Left Plot=255 +Top Plot=230 +Alarm Error=100.00 +Alarm Warning=100.00 +Alarm Minimum=0.00 +Alarm Set=0 + + +[Parameters] +ID 1=7 +Mode 1=2 +Value 1=1.000000 +ID 2=-1 +Mode 2=0 +Value 2=0.000000 +[Time Events] +Number Events=0 +[SCIS] +H2FlowRate=0.13 +Emission=10 +SourceTemperature=230 +QuadrupoleTemperature=150 +Duration=1.3 +StabilizationDuration=0.166666666666667 +Filament=2 +Mode=None diff --git a/tests/test_readers/data/agilent_csv/RAU-R505-08.D/AcqData/MSPeak.bin b/tests/test_readers/data/agilent_csv/RAU-R505-08.D/AcqData/MSPeak.bin new file mode 100644 index 0000000..a8781b1 Binary files /dev/null and b/tests/test_readers/data/agilent_csv/RAU-R505-08.D/AcqData/MSPeak.bin differ diff --git a/tests/test_readers/data/agilent_csv/RAU-R505-08.D/AcqData/MSScan.bin b/tests/test_readers/data/agilent_csv/RAU-R505-08.D/AcqData/MSScan.bin new file mode 100644 index 0000000..fc49f94 Binary files /dev/null and b/tests/test_readers/data/agilent_csv/RAU-R505-08.D/AcqData/MSScan.bin differ diff --git a/tests/test_readers/data/agilent_csv/RAU-R505-08.D/AcqData/MSScan.xsd b/tests/test_readers/data/agilent_csv/RAU-R505-08.D/AcqData/MSScan.xsd new file mode 100644 index 0000000..5157805 --- /dev/null +++ b/tests/test_readers/data/agilent_csv/RAU-R505-08.D/AcqData/MSScan.xsd @@ -0,0 +1,92 @@ + + + + + + + + MSScan binary file index record details + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + diff --git a/tests/test_readers/data/agilent_csv/RAU-R505-08.D/AcqData/MSTS.xml b/tests/test_readers/data/agilent_csv/RAU-R505-08.D/AcqData/MSTS.xml new file mode 100644 index 0000000..3de75d5 --- /dev/null +++ b/tests/test_readers/data/agilent_csv/RAU-R505-08.D/AcqData/MSTS.xml @@ -0,0 +1,14 @@ + + + 3 + + + 0 + + 650 + 2012 + + 0 + + 0 + \ No newline at end of file diff --git a/tests/test_readers/data/agilent_csv/RAU-R505-08.D/AcqData/sample_info.xml b/tests/test_readers/data/agilent_csv/RAU-R505-08.D/AcqData/sample_info.xml new file mode 100644 index 0000000..cf2326c --- /dev/null +++ b/tests/test_readers/data/agilent_csv/RAU-R505-08.D/AcqData/sample_info.xml @@ -0,0 +1,264 @@ + + 1.0 + + Dilution + Dilution + 1 + 8 + + + + + Inj Vol (µl) + Inj Vol (µl) + 1 + 8 + + + + + Wt/Vol + Wt/Vol + 0 + 8 + + + + + Sample ID + Sample ID + + + 8 + + + + + Sample Name + Sample Name + RAU-R505-8 + 8 + + + + + Sample Position + Sample Position + 9 + 8 + + + + + Sample Type + Sample Type + + + 8 + + + + + Data File + Data File + D:\MassHunter\GCMS\1\data\Elizabeth\B06\24.06.06\RAU-R505-8.D + 8 + + + + + Method + Method + D:\MassHunter\GCMS\1\methods\Janis12min,1minsolventdelay.M + 8 + + + + + Override DA Method + Override DA Method + + + 8 + + + + + Level Name + Level Name + + + 8 + + + + + Comment + Comment + + + 8 + + + + + Balance Override + Balance Override + + + 8 + + + + + Barcode + Barcode + + + 8 + + + + + Equilib Time (min) + Equilib Time (min) + 0 + 8 + + + + + Plate Code + Plate Code + + + 8 + + + + + Plate Position + Plate Position + + + 8 + + + + + Rack Code + Rack Code + + + 8 + + + + + Rack Position + Rack Position + + + 8 + + + + + 11709286632 + Expected Barcode + + + 8 + + + + + 21974084962 + Sample Amount + + + 8 + + + + + 3719138536 + Dual Inj Vol + 1 + 8 + + + + + 41534003512 + TuneName + ATUNE.U + 8 + + + + + 51606840582 + TunePath + D:\MassHunter\GCMS\1\5977\ + 8 + + + + + 6151335947 + TuneDateStamp + 2023-11-20T11:52:13+01:00 + 8 + + + + + 71136627688 + MSFirmwareVersion + 6.00.34 + 8 + + + + + OperatorName + OperatorName + Iris + 8 + + + + + AcqTime + AcqTime + 2024-06-06T17:27:07.8468782+02:00 + 8 + + + + + SampleLockedRunMode + SampleLockedRunMode + False + 8 + + + + + RunCompletedFlag + RunCompletedFlag + True + 8 + + + + + InstrumentName + InstrumentName + 5977B MSD + 8 + + + + \ No newline at end of file diff --git a/tests/test_readers/data/agilent_csv/RAU-R505-08.D/AcqData/sequence.xml b/tests/test_readers/data/agilent_csv/RAU-R505-08.D/AcqData/sequence.xml new file mode 100644 index 0000000..6ba8338 --- /dev/null +++ b/tests/test_readers/data/agilent_csv/RAU-R505-08.D/AcqData/sequence.xml @@ -0,0 +1,57 @@ + + + 0 + 0 + Janis12min,1minsolventdelay + D:\MassHunter\GCMS\1\methods\ + + false + + + + RAU-R505-8 + D:\MassHunter\GCMS\1\data\Elizabeth\B06\24.06.06\ + 1 + false + + 9 + 0 + 0 + + 1 + 1 + 5977B MSD + SingleQuadrupole + + + + + false + + 2 + + + + RAU-R505-8 + dummy + + + Sample + + None + None + None + None + + + + + + + + + + + 9 + + \ No newline at end of file diff --git a/tests/test_readers/data/agilent_csv/RAU-R505-08.D/GC.ini b/tests/test_readers/data/agilent_csv/RAU-R505-08.D/GC.ini new file mode 100644 index 0000000..d6d876b --- /dev/null +++ b/tests/test_readers/data/agilent_csv/RAU-R505-08.D/GC.ini @@ -0,0 +1,284 @@ +[7890 DriverItem] +gc.fw=B.02.05.1 +gc.sn=CN18333156 +gc.ready=3 +gc.status=1 +ALS.fr.present=1 +ALS.fr.syringe=10 +ALS.fr.volume=1 +ALS.bk.present=0 +ALS.bk.syringe=-1.79769313486232E+308 +ALS.bk.volume=-1.79769313486232E+308 +ALS.tray.present=1 +ALS.bcr.present=0 +gc.runlength=12.7142857142857 +gc.runtime=12.7136885332875 +gc.postrun=0 +gc.posttime=-1.79769313486232E+308 +gc.pressureunits=1 +Oven.T.state=1 +Oven.T.actual=260.8940505 +Oven.T.setpoint=30 +oven.T.ramp=30,30,4,35,300,1 +inlet.fr.T.state=1 +inlet.fr.T.actual=250.0337012 +inlet.fr.T.setpoint=250 +inlet.fr.column=1 +inlet.bk.T.state=-1.79769313486232E+308 +inlet.bk.T.actual=-1.79769313486232E+308 +inlet.bk.T.setpoint=-1.79769313486232E+308 +inlet.bk.column=-1.79769313486232E+308 +inlet.fr.gas=He +inlet.fr.p.actual=2535450 +inlet.fr.f.actual=-0.006179134848 +inlet.fr.mode=SPLIT +inlet.fr.splitratio=50 +inlet.bk.gas=!HW Item is not supported +inlet.bk.p.actual=-1.79769313486232E+308 +inlet.bk.f.actual=-1.79769313486232E+308 +inlet.bk.mode=!HW Item is not supported +inlet.bk.splitratio=-1.79769313486232E+308 +Column.1.F.actual=1.12948912 +Column.2.F.actual=1.505972348 +Column.3.F.actual=0 +Column.4.F.actual=0 +Column.5.F.actual=0 +Column.6.F.actual=0 +column.1.L=30 +column.1.D=0.00025 +column.1.t=2.5E-07 +column.1.max=325 +column.1.name=Agilent 19091S-433 +column.1.type=HP-5MS 5% Phenyl Methyl Silox +column.2.L=0.4 +column.2.D=0.0001 +column.2.t=0 +column.2.max=350 +column.2.name= +column.3.L=25 +column.3.D=0.00032 +column.3.t=0 +column.3.max=450 +column.3.name= +column.4.L=25 +column.4.D=0.00032 +column.4.t=0 +column.4.max=450 +column.4.name= +column.5.L=25 +column.5.D=0.00032 +column.5.t=0 +column.5.max=450 +column.5.name= +column.6.L=25 +column.6.D=0.00032 +column.6.t=0 +column.6.max=450 +column.6.name= +Column.1.description.Present=true +Column.1.description.NominalLength=30 +Column.1.description.NominalDiameter=0.00025 +Column.1.description.FilmThickness=2.5E-07 +Column.1.description.InletConnection=FRONT_INLET +Column.1.description.OutletConnection=AUX_PRESSURE_3 +Column.1.description.CalculatedLength=30 +Column.1.description.CalculatedDiameter=0.00025 +Column.1.description.CalibrationMode=UNCALIBRATED +Column.1.description.CalibrationDateTime=2000-01-02T00:00:00 +Column.1.description.ColumnMaxTemp=325 +Column.1.description.Name=Agilent 19091S-433 +Column.1.description.Type=HP-5MS 5% Phenyl Methyl Silox +Column.1.description.SerialNumber=93.92873 +Column.2.description.Present=true +Column.2.description.NominalLength=0.4 +Column.2.description.NominalDiameter=0.0001 +Column.2.description.FilmThickness=0 +Column.2.description.InletConnection=AUX_PRESSURE_3 +Column.2.description.OutletConnection=VACUUM +Column.2.description.CalculatedLength=0.4 +Column.2.description.CalculatedDiameter=0.0001 +Column.2.description.CalibrationMode=UNCALIBRATED +Column.2.description.CalibrationDateTime=2000-01-02T00:00:00 +Column.2.description.ColumnMaxTemp=350 +Column.2.description.Name= +Column.2.description.Type="" +Column.2.description.SerialNumber="" +Column.3.description.Present=true +Column.3.description.NominalLength=25 +Column.3.description.NominalDiameter=0.00032 +Column.3.description.FilmThickness=0 +Column.3.description.InletConnection=NONE +Column.3.description.OutletConnection=NONE +Column.3.description.CalculatedLength=25 +Column.3.description.CalculatedDiameter=0.00032 +Column.3.description.CalibrationMode=UNCALIBRATED +Column.3.description.CalibrationDateTime=2000-01-02T00:00:00 +Column.3.description.ColumnMaxTemp=450 +Column.3.description.Name= +Column.3.description.Type="" +Column.3.description.SerialNumber="" +Column.4.description.Present=true +Column.4.description.NominalLength=25 +Column.4.description.NominalDiameter=0.00032 +Column.4.description.FilmThickness=0 +Column.4.description.InletConnection=NONE +Column.4.description.OutletConnection=NONE +Column.4.description.CalculatedLength=25 +Column.4.description.CalculatedDiameter=0.00032 +Column.4.description.CalibrationMode=UNCALIBRATED +Column.4.description.CalibrationDateTime=2000-01-02T00:00:00 +Column.4.description.ColumnMaxTemp=450 +Column.4.description.Name= +Column.4.description.Type="" +Column.4.description.SerialNumber="" +Column.5.description.Present=true +Column.5.description.NominalLength=25 +Column.5.description.NominalDiameter=0.00032 +Column.5.description.FilmThickness=0 +Column.5.description.InletConnection=NONE +Column.5.description.OutletConnection=NONE +Column.5.description.CalculatedLength=25 +Column.5.description.CalculatedDiameter=0.00032 +Column.5.description.CalibrationMode=UNCALIBRATED +Column.5.description.CalibrationDateTime=2000-01-02T00:00:00 +Column.5.description.ColumnMaxTemp=450 +Column.5.description.Name= +Column.5.description.Type="" +Column.5.description.SerialNumber="" +Column.6.description.Present=true +Column.6.description.NominalLength=25 +Column.6.description.NominalDiameter=0.00032 +Column.6.description.FilmThickness=0 +Column.6.description.InletConnection=NONE +Column.6.description.OutletConnection=NONE +Column.6.description.CalculatedLength=25 +Column.6.description.CalculatedDiameter=0.00032 +Column.6.description.CalibrationMode=UNCALIBRATED +Column.6.description.CalibrationDateTime=2000-01-02T00:00:00 +Column.6.description.ColumnMaxTemp=450 +Column.6.description.Name= +Column.6.description.Type="" +Column.6.description.SerialNumber="" +det.fr.T.state=-1.79769313486232E+308 +det.fr.T.setpoint=-1.79769313486232E+308 +det.fr.T.actual=-1.79769313486232E+308 +det.fr.Signal.actual=-1.79769313486232E+308 +det.fr.Fuel.actual=-1.79769313486232E+308 +det.fr.Utility.actual=-1.79769313486232E+308 +det.fr.makeup.actual=-1.79769313486232E+308 +det.bk.T.state=-1.79769313486232E+308 +det.bk.T.setpoint=-1.79769313486232E+308 +det.bk.T.actual=-1.79769313486232E+308 +det.bk.Signal.actual=-1.79769313486232E+308 +det.bk.Fuel.actual=-1.79769313486232E+308 +det.bk.Utility.actual=-1.79769313486232E+308 +det.bk.makeup.actual=-1.79769313486232E+308 +det.aux.T.state=-1.79769313486232E+308 +det.aux.T.setpoint=-1.79769313486232E+308 +det.aux.T.actual=-1.79769313486232E+308 +det.aux.Signal.actual=-1.79769313486232E+308 +det.aux.Fuel.actual=-1.79769313486232E+308 +det.aux.Utility.actual=-1.79769313486232E+308 +det.aux.makeup.actual=-1.79769313486232E+308 +det.4th.T.state=-1.79769313486232E+308 +det.4th.T.setpoint=-1.79769313486232E+308 +det.4th.T.actual=-1.79769313486232E+308 +det.4th.Signal.actual=-1.79769313486232E+308 +det.4th.Fuel.actual=-1.79769313486232E+308 +det.4th.Utility.actual=-1.79769313486232E+308 +det.4th.makeup.actual=-1.79769313486232E+308 +AuxH.1.T.state=-1.79769313486232E+308 +AuxH.1.T.type=-1.79769313486232E+308 +AuxH.1.T.actual=-1.79769313486232E+308 +AuxH.1.T.setpoint=-1.79769313486232E+308 +AuxH.2.T.state=1 +AuxH.2.T.type=-1.79769313486232E+308 +AuxH.2.T.actual=280.1226956 +AuxH.2.T.setpoint=280 +AuxH.3.T.state=-1.79769313486232E+308 +AuxH.3.T.type=-1.79769313486232E+308 +AuxH.3.T.actual=-1.79769313486232E+308 +AuxH.3.T.setpoint=-1.79769313486232E+308 +rtlpressure=1377294.63663279 +rtlpressure.1=1377294.63663279 +rtlpressure.2=879395.685196652 +rtlpressure.3=-1.79769313486232E+308 +rtlpressure.4=-1.79769313486232E+308 +rtlpressure.5=-1.79769313486232E+308 +rtlpressure.6=-1.79769313486232E+308 +Valve.1.state=0 +Valve.2.state=0 +Valve.3.state=0 +Valve.4.state=0 +Valve.5.state=0 +Valve.6.state=0 +Valve.7.state=0 +Valve.8.state=0 +APC.1.A.P.actual=446121 +APC.1.B.P.actual=11794 +APC.1.C.P.actual=1447849 +APC.2.A.P.actual=-1.79769313486232E+308 +APC.2.B.P.actual=-1.79769313486232E+308 +APC.2.C.P.actual=-1.79769313486232E+308 +APC.3.A.P.actual=-1.79769313486232E+308 +APC.3.B.P.actual=-1.79769313486232E+308 +APC.3.C.P.actual=-1.79769313486232E+308 +APC.1.A.P.setpoint=689475.7 +APC.1.B.P.setpoint=689475.7 +APC.1.C.P.setpoint=879395.6852 +APC.2.A.P.setpoint=-1.79769313486232E+308 +APC.2.B.P.setpoint=-1.79769313486232E+308 +APC.2.C.P.setpoint=-1.79769313486232E+308 +APC.3.A.P.setpoint=-1.79769313486232E+308 +APC.3.B.P.setpoint=-1.79769313486232E+308 +APC.3.C.P.setpoint=-1.79769313486232E+308 +APC.1.A.gas=He +APC.1.B.gas=He +APC.1.C.gas=He +APC.2.A.gas=!HW Item is not supported +APC.2.B.gas=!HW Item is not supported +APC.2.C.gas=!HW Item is not supported +APC.3.A.gas=!HW Item is not supported +APC.3.B.gas=!HW Item is not supported +APC.3.C.gas=!HW Item is not supported +pcm.1.a.P.setpoint=-1.79769313486232E+308 +pcm.1.b.P.setpoint=-1.79769313486232E+308 +pcm.2.a.P.setpoint=-1.79769313486232E+308 +pcm.2.b.P.setpoint=-1.79769313486232E+308 +pcm.3.a.P.setpoint=-1.79769313486232E+308 +pcm.3.b.P.setpoint=-1.79769313486232E+308 +pcm.1.a.P.actual=-1.79769313486232E+308 +pcm.1.b.P.actual=-1.79769313486232E+308 +pcm.2.a.P.actual=-1.79769313486232E+308 +pcm.2.b.P.actual=-1.79769313486232E+308 +pcm.3.a.P.actual=-1.79769313486232E+308 +pcm.3.b.P.actual=-1.79769313486232E+308 +pcm.1.a.F.actual=-1.79769313486232E+308 +pcm.1.b.F.actual=-1.79769313486232E+308 +pcm.2.a.F.actual=-1.79769313486232E+308 +pcm.2.b.F.actual=-1.79769313486232E+308 +pcm.3.a.F.actual=-1.79769313486232E+308 +pcm.3.b.F.actual=-1.79769313486232E+308 +pcm.1.a.gas=-1.79769313486232E+308 +pcm.1.b.gas=-1.79769313486232E+308 +pcm.2.a.gas=-1.79769313486232E+308 +pcm.2.b.gas=-1.79769313486232E+308 +pcm.3.a.gas=-1.79769313486232E+308 +pcm.3.b.gas=-1.79769313486232E+308 +AuxP.1.P.actual=446149 +AuxP.2.P.actual=11812 +AuxP.3.P.actual=1429058 +AuxP.4.P.actual=-1.79769313486232E+308 +AuxP.5.P.actual=-1.79769313486232E+308 +AuxP.6.P.actual=-1.79769313486232E+308 +AuxP.7.P.actual=-1.79769313486232E+308 +AuxP.8.P.actual=-1.79769313486232E+308 +AuxP.9.P.actual=-1.79769313486232E+308 +Parameter name: APC.3.C.gas +Parameter name: APC.3.B.gas +Parameter name: APC.3.A.gas +Parameter name: APC.2.C.gas +Parameter name: APC.2.B.gas +Parameter name: APC.2.A.gas +Parameter name: inlet.bk.mode +Parameter name: inlet.bk.gas diff --git a/tests/test_readers/data/agilent_csv/RAU-R505-08.D/PRE_POST.INI b/tests/test_readers/data/agilent_csv/RAU-R505-08.D/PRE_POST.INI new file mode 100644 index 0000000..d609c23 --- /dev/null +++ b/tests/test_readers/data/agilent_csv/RAU-R505-08.D/PRE_POST.INI @@ -0,0 +1,115 @@ +[POSTRUN] +SOURCE=MS +Application=MassHunter GC/MS Acquisition B.07.06.2704 18-Jul-2017 Copyright © 1989-2017 Agilent Technologies, Inc. +Date=Thu Jun 06 17:39:52 2024 +SampleAmount=0 +Multiplier=1 +SmartCard=AGILENT TECHNOLOGIES,5977,US1827R022,6.00.34 +serial_n=US1827R022 +acqmode=0 +TuneName=ATUNE.U +TunePath=D:\MassHunter\GCMS\1\5977\ +TuneDate=20 Nov 2023 11:52 am +CImode=0 +CIpolarity=0 +SourceTemp=230 +QuadTemp=150 +Pressure=1.10E-05 +Matrix=1 +InitialAmt=1 +FinalAmt=1 +PrimaryFile=\data.ms +PrimaryType=hgfile +DataRecord=REV2:PARAFIT3 +SourceConf=101 +Observedm1=68.9963994372028 +Observedm2=218.954766989366 +Observedm3=502.003028423966 +Instrument Name=5977B MSD +controller=Top Sequence +timestamp=MS ChemStation +[Scan Parameters] +scanstart1=1 +lowmass1=45 +highmass1=550 +[TuneValues] +massgain=53 +massoffset=-26 +amugain=2335 +amuoffset=134.25 +dcpolarity=0 +emission=34.592541048648 +electron=70.0073246658121 +emvolts=1180.00366233291 +ACTUAL_EMVOLTS=1164.1 +GAIN FACTOR= 1.00 +entrance_lens=22.6722032242306 +filament=1 +ionfocus=90.3308509339519 +repeller=19.7593791966793 +entlensoffset=14.1102429495788 +[MS_Faults] +NUM_MS_Faults=0 +[firmware] +MSSC=6.00.34 +BSP=1.2/27.16T +HTTP=0.1 +LUI=04.32A.20160325 +[Type] +Type=1 +MHAcq=1 +[Sequence] +_methpath$=D:\MassHunter\GCMS\1\methods\ +_methfile$=Janis12min,1minsolventdelay.M +SeqFileName=D:\MassHunter\GCMS\1\sequence\IrisH.sequence.xml +[HW Config] +Smartcard=SC3.3 (SC33,40.0,32M,0K,64M,0x3722) +Sideboard=5975HI_SIDEBOARD +Log Amplifier=LOG02,121,54,2,CAL,y618051086 +Vacuum Pump=TURBO_PUMP +Vacuum Guage=HIVACGAUGE +CI Flow Control=NO_FCB +HES Driver PCA=SRC_PCA_TYPE_UNK +[Factors] +Mist=20 +Scan=NORM +A/Ds=16.00 +AVG.=1 +Samp=4 +Step=0.03 +Filter=Mass:ISTD +Qual=PARAFIT3 +SimSampPer=16 +Madly=800,9 +5975NoiseReduction=1 +5975EMSaver=-1 +LagFactors=-0.0285:8e-05:0 +tbyrst=40 +mbyrst=40 +tdomain=COEF,1.000000 +mdomain=-0.005964,-0.016017,0.008343,0.108516,0.247621 +[GainCoefficients] +Squared_=16.922441816685 +Linear__=48.3105062581599 +Constant=499.506255040877 +[Injection] +Tower=0 +F. SyringeVolume=10 +F. MethodVolume=1 +F. OverrideVolume=0 +R. SyringeVolume=0 +R. MethodVolume=0 +R. OverrideVolume=0 +Maxvial-1=150 +Maxvial-2=0 +Maxvial-3=0 +method specified sample prep= +[FC_VGauge] +CI=NO_FCB +Gauge=HIVACGAUGE +Pressure=1.1E-05 +[Compliance] +_iscompliant=0 +_isRandR=0 +_isSecureFS=0 +_isSecureRemoteFS=0 diff --git a/tests/test_readers/data/agilent_csv/RAU-R505-08.D/RESULTS.CSV b/tests/test_readers/data/agilent_csv/RAU-R505-08.D/RESULTS.CSV new file mode 100644 index 0000000..91469a1 --- /dev/null +++ b/tests/test_readers/data/agilent_csv/RAU-R505-08.D/RESULTS.CSV @@ -0,0 +1,11 @@ +[contents] +count=1 +Name=,D:\MassHunter\GCMS\1\data\Elizabeth\B06\24.06.06\RAU-R505-8.D +1=,INT TIC: RAU-R505-8.D\data.ms +[INT TIC: RAU-R505-8.D\data.ms] +Time=,Thu Jun 06 18:09:06 2024 +Header=,"Peak","R.T.","First","Max","Last","PK TY","Height","Area","Pct Max","Pct Total" +1=, 1, 6.055, 856, 860, 876," M ",1506033, 12691142,100.00, 38.003 +2=, 2, 6.301, 898, 903, 909," M ",1168623, 8870133, 69.89, 26.561 +3=, 3, 10.156, 1568,1570,1574," M3", 25627, 249939, 1.97, 0.748 +4=, 4, 10.287, 1590,1593,1605," M ",1029031, 11583893, 91.28, 34.687 diff --git a/tests/test_readers/data/agilent_csv/RAU-R505-08.D/TEMPBASE b/tests/test_readers/data/agilent_csv/RAU-R505-08.D/TEMPBASE new file mode 100644 index 0000000..e69de29 diff --git a/tests/test_readers/data/agilent_csv/RAU-R505-08.D/acqmeth.txt b/tests/test_readers/data/agilent_csv/RAU-R505-08.D/acqmeth.txt new file mode 100644 index 0000000..484fd29 Binary files /dev/null and b/tests/test_readers/data/agilent_csv/RAU-R505-08.D/acqmeth.txt differ diff --git a/tests/test_readers/data/agilent_csv/RAU-R505-08.D/checksum.xml b/tests/test_readers/data/agilent_csv/RAU-R505-08.D/checksum.xml new file mode 100644 index 0000000..ee8f270 --- /dev/null +++ b/tests/test_readers/data/agilent_csv/RAU-R505-08.D/checksum.xml @@ -0,0 +1,7 @@ + + + +
+ 94-ED-BE-70-96-C4-0C-00-AB-07-E9-40-DB-95-65-46-57-BB-BA-F4-4F-94-EB-69-98-2D-A8-AB-1F-9F-61-A2-97-6B-98-4B-71-44-2C-27-34-F2-19-75-2A-0D-49-19-14-61-4C-36-38-E7-45-E6-6B-6A-70-40-1A-F6-E2-E1 +
+ \ No newline at end of file diff --git a/tests/test_readers/data/agilent_csv/RAU-R505-08.D/data.ms b/tests/test_readers/data/agilent_csv/RAU-R505-08.D/data.ms new file mode 100644 index 0000000..93f7089 Binary files /dev/null and b/tests/test_readers/data/agilent_csv/RAU-R505-08.D/data.ms differ diff --git a/tests/test_readers/data/agilent_csv/RAU-R505-08.D/rteres.txt b/tests/test_readers/data/agilent_csv/RAU-R505-08.D/rteres.txt new file mode 100644 index 0000000..62be053 --- /dev/null +++ b/tests/test_readers/data/agilent_csv/RAU-R505-08.D/rteres.txt @@ -0,0 +1,30 @@ + Area Percent Report + + Data Path : D:\MassHunter\GCMS\1\data\Elizabeth\B06\24.06.06\ + Data File : RAU-R505-8.D + Acq On : 06 Jun 2024 17:27 + Operator : Iris + Sample : RAU-R505-8 + Misc : + ALS Vial : 9 Sample Multiplier: 1 + + Integration Parameters: autoint1.e + Integrator: ChemStation + + Method : D:\MassHunter\GCMS\1\methods\Janis12min.M + Title : + + Signal : TIC: RAU-R505-8.D\data.ms + + peak R.T. first max last PK peak corr. corr. % of + # min scan scan scan TY height area % max. total + --- ----- ----- ---- ---- --- ------- ------- ------ ------- + 1 6.055 856 860 876 M 1506033 12691142 100.00% 38.003% + 2 6.301 898 903 909 M 1168623 8870133 69.89% 26.561% + 3 10.156 1568 1570 1574 M3 25627 249939 1.97% 0.748% + 4 10.287 1590 1593 1605 M 1029031 11583893 91.28% 34.687% + + + Sum of corrected areas: 33395106 + +Janis12min.M Thu Jun 06 18:09:06 2024 diff --git a/tests/test_readers/data/agilent_csv/RAU-R505-08.D/runstart.txt b/tests/test_readers/data/agilent_csv/RAU-R505-08.D/runstart.txt new file mode 100644 index 0000000..018689c --- /dev/null +++ b/tests/test_readers/data/agilent_csv/RAU-R505-08.D/runstart.txt @@ -0,0 +1,64 @@ + Critical RunStart CP Variables + +CP Variable = Value + + Front Injector Available(_turretfrontavail) = 1 + Rear Injector Available(_turretrearavail) = 0 + Dual Injector Available(_turretdualavail) = 0 + + Injection Source(_injsource) = 1 1,2,3,4,5,6=ALS,Man,Valve,Ext.,PAL,HS,MiniTD + _injloc (_injloc) = 1 + MSD Sample(_msinlet) = 1 1,2=sample1=Front,sample2=Rear + + _ptavail : 1 _dopretreat : 0 _pretreatpath$ : D:\MassHunter\GCMS\1\PreTreat\ + _pretreatfile$ : _pretreatmeth$ : + + _Overlapped _overlap _ALSNEXT, _ALSNEXT2, _Lastlap 0 0 10 10 0 + +_overlapped: Is method currently overlapping? 0 +_overlap: Is hw capable of overlapping? 0 +_alsnext: Next vial front inlet? 10 +_lastlap: Indicator for last entry in SLT 0 + + _seqcheckbar: 0 On Mismatch, Inject Anyway + _seqcheckbarnext: 0 + Expected BCs : 2: + + Next Expected BCs : 2: + + Previous _checkbar : 0 + Previous _barmismatch: 0 + +_maxvial[] 1=150 2=0 3=0 + +Front Sample + + Alsbottle (_alsbottle) = 9 + Methfile (_methfile$) = Janis12min,1minsolventdelay.M + Datafile(,_datafile$) = RAU-R505-8.D + Sample Name (_dataname$) = RAU-R505-8 + Exp. Barcode(_expbarcode$)= + Miscellaneous (_miscinfo$) = + Vol. Override (_injvol) = 0 + Method Volume (_methvol) = 1 + SyringeVolume (_syrvol) = 10 + SyringeVolLow (_syrvollow) = 0 + Multiplier (_multiplr) = 1 + Sample Amt (_sampamt) = 0 + + +Rear Sample + + Alsbottle(_alsbottle2) = 0 + Datafile(_datafile2$) = RAU-R505-8.D + Sample Name(_dataname2$) = RAU-R505-8 + Exp. Barcode(_expbarcode2$) = + Miscellaneous(_miscinfo2$) = + Vol. Override(_injvol2) = 0 + Method Volume(_methvol2) = 0 + SyringeVolume(_syrvol2) = 0 + SyringeVolLow(_syrvollow2) = 0 + Multiplier(_multiplr2) = 1 + Sample Amt(_sampamt2) = 0 + +Thu Jun 06 17:18:06 2024 diff --git a/tests/test_readers/data/agilent_csv/RAU-R505-08.D/tic_front.csv b/tests/test_readers/data/agilent_csv/RAU-R505-08.D/tic_front.csv new file mode 100644 index 0000000..10f78e7 --- /dev/null +++ b/tests/test_readers/data/agilent_csv/RAU-R505-08.D/tic_front.csv @@ -0,0 +1,2014 @@ +D:\MassHunter\GCMS\1\data\Elizabeth\B06\24.06.06\RAU-R505-8.D 06 Jun 24 05:27 pm +Start of data points +1.0929,27994768 +1.09867,27622608 +1.10445,26543930 +1.11022,25847066 +1.116,25421148 +1.12177,24754596 +1.12755,24127476 +1.13332,23679970 +1.1391,23427884 +1.14488,22968408 +1.15065,23562602 +1.15643,20671010 +1.1622,623986 +1.16798,513079 +1.17375,455750 +1.17953,439556 +1.1853,510660 +1.19108,713760 +1.19685,1064088 +1.20263,1406058 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--- /dev/null +++ b/tests/test_readers/data/agilent_csv/RAU-R505-09.D/AcqData-CumulativeAuditTrail.xml @@ -0,0 +1,17 @@ + + + + 0 + WS-CZC83174R0 + system + 2024-06-06T17:40:09.9203525+02:00 + Data collection has been initiated. + + + 1 + WS-CZC83174R0 + system + 2024-06-06T18:01:50.8124605+02:00 + Data has been collected and saved. + + \ No newline at end of file diff --git a/tests/test_readers/data/agilent_csv/RAU-R505-09.D/AcqData/Contents.xml b/tests/test_readers/data/agilent_csv/RAU-R505-09.D/AcqData/Contents.xml new file mode 100644 index 0000000..35509d3 --- /dev/null +++ b/tests/test_readers/data/agilent_csv/RAU-R505-09.D/AcqData/Contents.xml @@ -0,0 +1,17 @@ + + + 3 + + + 2024-06-06T17:49:08.8829023+02:00 + + 2 + 5977B MSD + + 0 + + 2 + + 2 + MassHunter GC/MS Acquisition B.07.06.2704 18-Jul-2017 Copyright © 1989-2017 Agilent Technologies, Inc. + \ No newline at end of file diff --git a/tests/test_readers/data/agilent_csv/RAU-R505-09.D/AcqData/Devices.xml b/tests/test_readers/data/agilent_csv/RAU-R505-09.D/AcqData/Devices.xml new file mode 100644 index 0000000..0b92837 --- /dev/null +++ b/tests/test_readers/data/agilent_csv/RAU-R505-09.D/AcqData/Devices.xml @@ -0,0 +1,16 @@ + + + 1 + + SingleQuadrupole + 7.6.0.0 + 6.00.34 + 5977 + 1 + US1827R022 + 2 + 8 + 0 + 1 + + \ No newline at end of file diff --git a/tests/test_readers/data/agilent_csv/RAU-R505-09.D/AcqData/Janis12min,1minsolventdelay.M/acq.ms b/tests/test_readers/data/agilent_csv/RAU-R505-09.D/AcqData/Janis12min,1minsolventdelay.M/acq.ms new file mode 100644 index 0000000..2fcdc23 --- /dev/null +++ b/tests/test_readers/data/agilent_csv/RAU-R505-09.D/AcqData/Janis12min,1minsolventdelay.M/acq.ms @@ -0,0 +1,146 @@ +[Signature] +ID=00000000000000000000000000000000 + +[Version] +ID=G1701CA Version: C.00.00 + +[General] +Type=6 +Inlet=0 +Start Mode=0 +Run Duration=39000 +Solvent Delay=1 +Tune File=ATUNE.U +Group Ions=1 +Acq Mode=0 +Gauges=2 +Fast Scan=0 +TID=0 +EMSaver=0 + +[Zone 1] +ID=1 +On=1 +Soft Max=200 +Set Point=150 +Type=0 + +[Zone 2] +ID=0 +On=1 +Soft Max=250 +Set Point=230 +Type=0 + +[Zone 3] +ID=-1 +On=0 +Soft Max=0 +Set Point=0 +Type=0 + +[Ions 1] +Group Name=OFN-272-LR +Start Time=4.2 +Resolution=1 +Plot Index 1=0 +Number of Ions=1 +Ion 1=272.00,50 +Group EMV Setting=10 +Use Group EMV Setting=true +IonL1= + +[Scan 1] +Start Time=1 +Low Mass=45 +High Mass=550 +Threshold=150 +Sampling=4 +Low Plot 1= +Low Plot 2= +High Plot 1= +High Plot 2= + +[Scan 2] + +[Scan 3] + +[Filters] +Mass Type=0 +Mass Param=0 +Mass Sigma=0 +Time Type=0 +Time Param=0 +Time Sigma=0 + +[Plot] +Plot Type 1=0 +Time Plot 1=0 +Min Plot 1=0 +Max Plot 1=0 +Left Plot 1=0.000000 +Top Plot 1=0.085653 +Width Plot 1=0.520196 +Height Plot 1=0.625268 +Mode Plot 1=2 +Plot Type 2=2 +Time Plot 2=0 +Min Plot 2=0 +Max Plot 2=0 +Left Plot 2=0.198286 +Top Plot 2=0.197002 +Width Plot 2=0.499388 +Height Plot 2=0.501071 +Mode Plot 2=2 +X Gadget Pos 1=5 +Y Gadget Pos 1=230 +X Gadget Pos 2=130 +Y Gadget Pos 2=230 +Low Mass 1=1.6 +High Mass 1=1050 +Plot Label 1= +Low Mass 2=1.6 +High Mass 2=1050 +Plot Label 2= + +[Gauge1] +Type=2 +ID=1 +Display Type=0 +Left Plot=380 +Top Plot=230 +Alarm Error=100.00 +Alarm Warning=100.00 +Alarm Minimum=0.00 +Alarm Set=0 + +[Gauge2] +Type=2 +ID=0 +Display Type=0 +Left Plot=255 +Top Plot=230 +Alarm Error=100.00 +Alarm Warning=100.00 +Alarm Minimum=0.00 +Alarm Set=0 + + +[Parameters] +ID 1=7 +Mode 1=2 +Value 1=1.000000 +ID 2=-1 +Mode 2=0 +Value 2=0.000000 +[Time Events] +Number Events=0 +[SCIS] +H2FlowRate=0.13 +Emission=10 +SourceTemperature=230 +QuadrupoleTemperature=150 +Duration=1.3 +StabilizationDuration=0.166666666666667 +Filament=2 +Mode=None diff --git a/tests/test_readers/data/agilent_csv/RAU-R505-09.D/AcqData/MSPeak.bin b/tests/test_readers/data/agilent_csv/RAU-R505-09.D/AcqData/MSPeak.bin new file mode 100644 index 0000000..0444b46 Binary files /dev/null and b/tests/test_readers/data/agilent_csv/RAU-R505-09.D/AcqData/MSPeak.bin differ diff --git a/tests/test_readers/data/agilent_csv/RAU-R505-09.D/AcqData/MSScan.bin b/tests/test_readers/data/agilent_csv/RAU-R505-09.D/AcqData/MSScan.bin new file mode 100644 index 0000000..0e8567f Binary files /dev/null and b/tests/test_readers/data/agilent_csv/RAU-R505-09.D/AcqData/MSScan.bin differ diff --git a/tests/test_readers/data/agilent_csv/RAU-R505-09.D/AcqData/MSScan.xsd b/tests/test_readers/data/agilent_csv/RAU-R505-09.D/AcqData/MSScan.xsd new file mode 100644 index 0000000..5157805 --- /dev/null +++ b/tests/test_readers/data/agilent_csv/RAU-R505-09.D/AcqData/MSScan.xsd @@ -0,0 +1,92 @@ + + + + + + + + MSScan binary file index record details + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + diff --git a/tests/test_readers/data/agilent_csv/RAU-R505-09.D/AcqData/MSTS.xml b/tests/test_readers/data/agilent_csv/RAU-R505-09.D/AcqData/MSTS.xml new file mode 100644 index 0000000..3de75d5 --- /dev/null +++ b/tests/test_readers/data/agilent_csv/RAU-R505-09.D/AcqData/MSTS.xml @@ -0,0 +1,14 @@ + + + 3 + + + 0 + + 650 + 2012 + + 0 + + 0 + \ No newline at end of file diff --git a/tests/test_readers/data/agilent_csv/RAU-R505-09.D/AcqData/sample_info.xml b/tests/test_readers/data/agilent_csv/RAU-R505-09.D/AcqData/sample_info.xml new file mode 100644 index 0000000..7570151 --- /dev/null +++ b/tests/test_readers/data/agilent_csv/RAU-R505-09.D/AcqData/sample_info.xml @@ -0,0 +1,264 @@ + + 1.0 + + Dilution + Dilution + 1 + 8 + + + + + Inj Vol (µl) + Inj Vol (µl) + 1 + 8 + + + + + Wt/Vol + Wt/Vol + 0 + 8 + + + + + Sample ID + Sample ID + + + 8 + + + + + Sample Name + Sample Name + RAU-R505-9 + 8 + + + + + Sample Position + Sample Position + 10 + 8 + + + + + Sample Type + Sample Type + + + 8 + + + + + Data File + Data File + D:\MassHunter\GCMS\1\data\Elizabeth\B06\24.06.06\RAU-R505-9.D + 8 + + + + + Method + Method + D:\MassHunter\GCMS\1\methods\Janis12min,1minsolventdelay.M + 8 + + + + + Override DA Method + Override DA Method + + + 8 + + + + + Level Name + Level Name + + + 8 + + + + + Comment + Comment + + + 8 + + + + + Balance Override + Balance Override + + + 8 + + + + + Barcode + Barcode + + + 8 + + + + + Equilib Time (min) + Equilib Time (min) + 0 + 8 + + + + + Plate Code + Plate Code + + + 8 + + + + + Plate Position + Plate Position + + + 8 + + + + + Rack Code + Rack Code + + + 8 + + + + + Rack Position + Rack Position + + + 8 + + + + + 1738250927 + Expected Barcode + + + 8 + + + + + 2468857570 + Sample Amount + + + 8 + + + + + 31443562517 + Dual Inj Vol + 1 + 8 + + + + + 4909834394 + TuneName + ATUNE.U + 8 + + + + + 580531460 + TunePath + D:\MassHunter\GCMS\1\5977\ + 8 + + + + + 6384689676 + TuneDateStamp + 2023-11-20T11:52:13+01:00 + 8 + + + + + 71301256988 + MSFirmwareVersion + 6.00.34 + 8 + + + + + OperatorName + OperatorName + Iris + 8 + + + + + AcqTime + AcqTime + 2024-06-06T17:49:08.8829023+02:00 + 8 + + + + + SampleLockedRunMode + SampleLockedRunMode + False + 8 + + + + + RunCompletedFlag + RunCompletedFlag + True + 8 + + + + + InstrumentName + InstrumentName + 5977B MSD + 8 + + + + \ No newline at end of file diff --git a/tests/test_readers/data/agilent_csv/RAU-R505-09.D/AcqData/sequence.xml b/tests/test_readers/data/agilent_csv/RAU-R505-09.D/AcqData/sequence.xml new file mode 100644 index 0000000..14565af --- /dev/null +++ b/tests/test_readers/data/agilent_csv/RAU-R505-09.D/AcqData/sequence.xml @@ -0,0 +1,57 @@ + + + 0 + 0 + Janis12min,1minsolventdelay + D:\MassHunter\GCMS\1\methods\ + + false + + + + RAU-R505-9 + D:\MassHunter\GCMS\1\data\Elizabeth\B06\24.06.06\ + 1 + false + + 10 + 0 + 0 + + 1 + 1 + 5977B MSD + SingleQuadrupole + + + + + false + + 2 + + + + RAU-R505-9 + dummy + + + Sample + + None + None + None + None + + + + + + + + + + + 10 + + \ No newline at end of file diff --git a/tests/test_readers/data/agilent_csv/RAU-R505-09.D/GC.ini b/tests/test_readers/data/agilent_csv/RAU-R505-09.D/GC.ini new file mode 100644 index 0000000..0675cdf --- /dev/null +++ b/tests/test_readers/data/agilent_csv/RAU-R505-09.D/GC.ini @@ -0,0 +1,284 @@ +[7890 DriverItem] +gc.fw=B.02.05.1 +gc.sn=CN18333156 +gc.ready=3 +gc.status=1 +ALS.fr.present=1 +ALS.fr.syringe=10 +ALS.fr.volume=1 +ALS.bk.present=0 +ALS.bk.syringe=-1.79769313486232E+308 +ALS.bk.volume=-1.79769313486232E+308 +ALS.tray.present=1 +ALS.bcr.present=0 +gc.runlength=12.7142857142857 +gc.runtime=12.7139302000287 +gc.postrun=0 +gc.posttime=-1.79769313486232E+308 +gc.pressureunits=1 +Oven.T.state=1 +Oven.T.actual=261.6279684 +Oven.T.setpoint=30 +oven.T.ramp=30,30,4,35,300,1 +inlet.fr.T.state=1 +inlet.fr.T.actual=250.0455788 +inlet.fr.T.setpoint=250 +inlet.fr.column=1 +inlet.bk.T.state=-1.79769313486232E+308 +inlet.bk.T.actual=-1.79769313486232E+308 +inlet.bk.T.setpoint=-1.79769313486232E+308 +inlet.bk.column=-1.79769313486232E+308 +inlet.fr.gas=He +inlet.fr.p.actual=2535891 +inlet.fr.f.actual=-0.009897178492 +inlet.fr.mode=SPLIT +inlet.fr.splitratio=50 +inlet.bk.gas=!HW Item is not supported +inlet.bk.p.actual=-1.79769313486232E+308 +inlet.bk.f.actual=-1.79769313486232E+308 +inlet.bk.mode=!HW Item is not supported +inlet.bk.splitratio=-1.79769313486232E+308 +Column.1.F.actual=0.9962303754 +Column.2.F.actual=1.505079133 +Column.3.F.actual=0 +Column.4.F.actual=0 +Column.5.F.actual=0 +Column.6.F.actual=0 +column.1.L=30 +column.1.D=0.00025 +column.1.t=2.5E-07 +column.1.max=325 +column.1.name=Agilent 19091S-433 +column.1.type=HP-5MS 5% Phenyl Methyl Silox +column.2.L=0.4 +column.2.D=0.0001 +column.2.t=0 +column.2.max=350 +column.2.name= +column.3.L=25 +column.3.D=0.00032 +column.3.t=0 +column.3.max=450 +column.3.name= +column.4.L=25 +column.4.D=0.00032 +column.4.t=0 +column.4.max=450 +column.4.name= +column.5.L=25 +column.5.D=0.00032 +column.5.t=0 +column.5.max=450 +column.5.name= +column.6.L=25 +column.6.D=0.00032 +column.6.t=0 +column.6.max=450 +column.6.name= +Column.1.description.Present=true +Column.1.description.NominalLength=30 +Column.1.description.NominalDiameter=0.00025 +Column.1.description.FilmThickness=2.5E-07 +Column.1.description.InletConnection=FRONT_INLET +Column.1.description.OutletConnection=AUX_PRESSURE_3 +Column.1.description.CalculatedLength=30 +Column.1.description.CalculatedDiameter=0.00025 +Column.1.description.CalibrationMode=UNCALIBRATED +Column.1.description.CalibrationDateTime=2000-01-02T00:00:00 +Column.1.description.ColumnMaxTemp=325 +Column.1.description.Name=Agilent 19091S-433 +Column.1.description.Type=HP-5MS 5% Phenyl Methyl Silox +Column.1.description.SerialNumber=93.92873 +Column.2.description.Present=true +Column.2.description.NominalLength=0.4 +Column.2.description.NominalDiameter=0.0001 +Column.2.description.FilmThickness=0 +Column.2.description.InletConnection=AUX_PRESSURE_3 +Column.2.description.OutletConnection=VACUUM +Column.2.description.CalculatedLength=0.4 +Column.2.description.CalculatedDiameter=0.0001 +Column.2.description.CalibrationMode=UNCALIBRATED +Column.2.description.CalibrationDateTime=2000-01-02T00:00:00 +Column.2.description.ColumnMaxTemp=350 +Column.2.description.Name= +Column.2.description.Type="" +Column.2.description.SerialNumber="" +Column.3.description.Present=true +Column.3.description.NominalLength=25 +Column.3.description.NominalDiameter=0.00032 +Column.3.description.FilmThickness=0 +Column.3.description.InletConnection=NONE +Column.3.description.OutletConnection=NONE +Column.3.description.CalculatedLength=25 +Column.3.description.CalculatedDiameter=0.00032 +Column.3.description.CalibrationMode=UNCALIBRATED +Column.3.description.CalibrationDateTime=2000-01-02T00:00:00 +Column.3.description.ColumnMaxTemp=450 +Column.3.description.Name= +Column.3.description.Type="" +Column.3.description.SerialNumber="" +Column.4.description.Present=true +Column.4.description.NominalLength=25 +Column.4.description.NominalDiameter=0.00032 +Column.4.description.FilmThickness=0 +Column.4.description.InletConnection=NONE +Column.4.description.OutletConnection=NONE +Column.4.description.CalculatedLength=25 +Column.4.description.CalculatedDiameter=0.00032 +Column.4.description.CalibrationMode=UNCALIBRATED +Column.4.description.CalibrationDateTime=2000-01-02T00:00:00 +Column.4.description.ColumnMaxTemp=450 +Column.4.description.Name= +Column.4.description.Type="" +Column.4.description.SerialNumber="" +Column.5.description.Present=true +Column.5.description.NominalLength=25 +Column.5.description.NominalDiameter=0.00032 +Column.5.description.FilmThickness=0 +Column.5.description.InletConnection=NONE +Column.5.description.OutletConnection=NONE +Column.5.description.CalculatedLength=25 +Column.5.description.CalculatedDiameter=0.00032 +Column.5.description.CalibrationMode=UNCALIBRATED +Column.5.description.CalibrationDateTime=2000-01-02T00:00:00 +Column.5.description.ColumnMaxTemp=450 +Column.5.description.Name= +Column.5.description.Type="" +Column.5.description.SerialNumber="" +Column.6.description.Present=true +Column.6.description.NominalLength=25 +Column.6.description.NominalDiameter=0.00032 +Column.6.description.FilmThickness=0 +Column.6.description.InletConnection=NONE +Column.6.description.OutletConnection=NONE +Column.6.description.CalculatedLength=25 +Column.6.description.CalculatedDiameter=0.00032 +Column.6.description.CalibrationMode=UNCALIBRATED +Column.6.description.CalibrationDateTime=2000-01-02T00:00:00 +Column.6.description.ColumnMaxTemp=450 +Column.6.description.Name= +Column.6.description.Type="" +Column.6.description.SerialNumber="" +det.fr.T.state=-1.79769313486232E+308 +det.fr.T.setpoint=-1.79769313486232E+308 +det.fr.T.actual=-1.79769313486232E+308 +det.fr.Signal.actual=-1.79769313486232E+308 +det.fr.Fuel.actual=-1.79769313486232E+308 +det.fr.Utility.actual=-1.79769313486232E+308 +det.fr.makeup.actual=-1.79769313486232E+308 +det.bk.T.state=-1.79769313486232E+308 +det.bk.T.setpoint=-1.79769313486232E+308 +det.bk.T.actual=-1.79769313486232E+308 +det.bk.Signal.actual=-1.79769313486232E+308 +det.bk.Fuel.actual=-1.79769313486232E+308 +det.bk.Utility.actual=-1.79769313486232E+308 +det.bk.makeup.actual=-1.79769313486232E+308 +det.aux.T.state=-1.79769313486232E+308 +det.aux.T.setpoint=-1.79769313486232E+308 +det.aux.T.actual=-1.79769313486232E+308 +det.aux.Signal.actual=-1.79769313486232E+308 +det.aux.Fuel.actual=-1.79769313486232E+308 +det.aux.Utility.actual=-1.79769313486232E+308 +det.aux.makeup.actual=-1.79769313486232E+308 +det.4th.T.state=-1.79769313486232E+308 +det.4th.T.setpoint=-1.79769313486232E+308 +det.4th.T.actual=-1.79769313486232E+308 +det.4th.Signal.actual=-1.79769313486232E+308 +det.4th.Fuel.actual=-1.79769313486232E+308 +det.4th.Utility.actual=-1.79769313486232E+308 +det.4th.makeup.actual=-1.79769313486232E+308 +AuxH.1.T.state=-1.79769313486232E+308 +AuxH.1.T.type=-1.79769313486232E+308 +AuxH.1.T.actual=-1.79769313486232E+308 +AuxH.1.T.setpoint=-1.79769313486232E+308 +AuxH.2.T.state=1 +AuxH.2.T.type=-1.79769313486232E+308 +AuxH.2.T.actual=280.0757904 +AuxH.2.T.setpoint=280 +AuxH.3.T.state=-1.79769313486232E+308 +AuxH.3.T.type=-1.79769313486232E+308 +AuxH.3.T.actual=-1.79769313486232E+308 +AuxH.3.T.setpoint=-1.79769313486232E+308 +rtlpressure=1377294.63663279 +rtlpressure.1=1377294.63663279 +rtlpressure.2=879395.685196652 +rtlpressure.3=-1.79769313486232E+308 +rtlpressure.4=-1.79769313486232E+308 +rtlpressure.5=-1.79769313486232E+308 +rtlpressure.6=-1.79769313486232E+308 +Valve.1.state=0 +Valve.2.state=0 +Valve.3.state=0 +Valve.4.state=0 +Valve.5.state=0 +Valve.6.state=0 +Valve.7.state=0 +Valve.8.state=0 +APC.1.A.P.actual=446364 +APC.1.B.P.actual=12055 +APC.1.C.P.actual=1448399 +APC.2.A.P.actual=-1.79769313486232E+308 +APC.2.B.P.actual=-1.79769313486232E+308 +APC.2.C.P.actual=-1.79769313486232E+308 +APC.3.A.P.actual=-1.79769313486232E+308 +APC.3.B.P.actual=-1.79769313486232E+308 +APC.3.C.P.actual=-1.79769313486232E+308 +APC.1.A.P.setpoint=689475.7 +APC.1.B.P.setpoint=689475.7 +APC.1.C.P.setpoint=879395.6852 +APC.2.A.P.setpoint=-1.79769313486232E+308 +APC.2.B.P.setpoint=-1.79769313486232E+308 +APC.2.C.P.setpoint=-1.79769313486232E+308 +APC.3.A.P.setpoint=-1.79769313486232E+308 +APC.3.B.P.setpoint=-1.79769313486232E+308 +APC.3.C.P.setpoint=-1.79769313486232E+308 +APC.1.A.gas=He +APC.1.B.gas=He +APC.1.C.gas=He +APC.2.A.gas=!HW Item is not supported +APC.2.B.gas=!HW Item is not supported +APC.2.C.gas=!HW Item is not supported +APC.3.A.gas=!HW Item is not supported +APC.3.B.gas=!HW Item is not supported +APC.3.C.gas=!HW Item is not supported +pcm.1.a.P.setpoint=-1.79769313486232E+308 +pcm.1.b.P.setpoint=-1.79769313486232E+308 +pcm.2.a.P.setpoint=-1.79769313486232E+308 +pcm.2.b.P.setpoint=-1.79769313486232E+308 +pcm.3.a.P.setpoint=-1.79769313486232E+308 +pcm.3.b.P.setpoint=-1.79769313486232E+308 +pcm.1.a.P.actual=-1.79769313486232E+308 +pcm.1.b.P.actual=-1.79769313486232E+308 +pcm.2.a.P.actual=-1.79769313486232E+308 +pcm.2.b.P.actual=-1.79769313486232E+308 +pcm.3.a.P.actual=-1.79769313486232E+308 +pcm.3.b.P.actual=-1.79769313486232E+308 +pcm.1.a.F.actual=-1.79769313486232E+308 +pcm.1.b.F.actual=-1.79769313486232E+308 +pcm.2.a.F.actual=-1.79769313486232E+308 +pcm.2.b.F.actual=-1.79769313486232E+308 +pcm.3.a.F.actual=-1.79769313486232E+308 +pcm.3.b.F.actual=-1.79769313486232E+308 +pcm.1.a.gas=-1.79769313486232E+308 +pcm.1.b.gas=-1.79769313486232E+308 +pcm.2.a.gas=-1.79769313486232E+308 +pcm.2.b.gas=-1.79769313486232E+308 +pcm.3.a.gas=-1.79769313486232E+308 +pcm.3.b.gas=-1.79769313486232E+308 +AuxP.1.P.actual=446389 +AuxP.2.P.actual=12024 +AuxP.3.P.actual=1428914 +AuxP.4.P.actual=-1.79769313486232E+308 +AuxP.5.P.actual=-1.79769313486232E+308 +AuxP.6.P.actual=-1.79769313486232E+308 +AuxP.7.P.actual=-1.79769313486232E+308 +AuxP.8.P.actual=-1.79769313486232E+308 +AuxP.9.P.actual=-1.79769313486232E+308 +Parameter name: APC.3.C.gas +Parameter name: APC.3.B.gas +Parameter name: APC.3.A.gas +Parameter name: APC.2.C.gas +Parameter name: APC.2.B.gas +Parameter name: APC.2.A.gas +Parameter name: inlet.bk.mode +Parameter name: inlet.bk.gas diff --git a/tests/test_readers/data/agilent_csv/RAU-R505-09.D/PRE_POST.INI b/tests/test_readers/data/agilent_csv/RAU-R505-09.D/PRE_POST.INI new file mode 100644 index 0000000..89c0f25 --- /dev/null +++ b/tests/test_readers/data/agilent_csv/RAU-R505-09.D/PRE_POST.INI @@ -0,0 +1,115 @@ +[POSTRUN] +SOURCE=MS +Application=MassHunter GC/MS Acquisition B.07.06.2704 18-Jul-2017 Copyright © 1989-2017 Agilent Technologies, Inc. +Date=Thu Jun 06 18:01:53 2024 +SampleAmount=0 +Multiplier=1 +SmartCard=AGILENT TECHNOLOGIES,5977,US1827R022,6.00.34 +serial_n=US1827R022 +acqmode=0 +TuneName=ATUNE.U +TunePath=D:\MassHunter\GCMS\1\5977\ +TuneDate=20 Nov 2023 11:52 am +CImode=0 +CIpolarity=0 +SourceTemp=230 +QuadTemp=150 +Pressure=1.10E-05 +Matrix=1 +InitialAmt=1 +FinalAmt=1 +PrimaryFile=\data.ms +PrimaryType=hgfile +DataRecord=REV2:PARAFIT3 +SourceConf=101 +Observedm1=68.9963994372028 +Observedm2=218.954766989366 +Observedm3=502.003028423966 +Instrument Name=5977B MSD +controller=Top Sequence +timestamp=MS ChemStation +[Scan Parameters] +scanstart1=1 +lowmass1=45 +highmass1=550 +[TuneValues] +massgain=53 +massoffset=-26 +amugain=2335 +amuoffset=134.25 +dcpolarity=0 +emission=34.592541048648 +electron=70.0073246658121 +emvolts=1180.00366233291 +ACTUAL_EMVOLTS=1164.1 +GAIN FACTOR= 1.00 +entrance_lens=22.6722032242306 +filament=1 +ionfocus=90.3308509339519 +repeller=19.7593791966793 +entlensoffset=14.1102429495788 +[MS_Faults] +NUM_MS_Faults=0 +[firmware] +MSSC=6.00.34 +BSP=1.2/27.16T +HTTP=0.1 +LUI=04.32A.20160325 +[Type] +Type=1 +MHAcq=1 +[Sequence] +_methpath$=D:\MassHunter\GCMS\1\methods\ +_methfile$=Janis12min,1minsolventdelay.M +SeqFileName=D:\MassHunter\GCMS\1\sequence\IrisH.sequence.xml +[HW Config] +Smartcard=SC3.3 (SC33,40.0,32M,0K,64M,0x3722) +Sideboard=5975HI_SIDEBOARD +Log Amplifier=LOG02,121,54,2,CAL,y618051086 +Vacuum Pump=TURBO_PUMP +Vacuum Guage=HIVACGAUGE +CI Flow Control=NO_FCB +HES Driver PCA=SRC_PCA_TYPE_UNK +[Factors] +Mist=20 +Scan=NORM +A/Ds=16.00 +AVG.=1 +Samp=4 +Step=0.03 +Filter=Mass:ISTD +Qual=PARAFIT3 +SimSampPer=16 +Madly=800,9 +5975NoiseReduction=1 +5975EMSaver=-1 +LagFactors=-0.0285:8e-05:0 +tbyrst=40 +mbyrst=40 +tdomain=COEF,1.000000 +mdomain=-0.005964,-0.016017,0.008343,0.108516,0.247621 +[GainCoefficients] +Squared_=16.922441816685 +Linear__=48.3105062581599 +Constant=499.506255040877 +[Injection] +Tower=0 +F. SyringeVolume=10 +F. MethodVolume=1 +F. OverrideVolume=0 +R. SyringeVolume=0 +R. MethodVolume=0 +R. OverrideVolume=0 +Maxvial-1=150 +Maxvial-2=0 +Maxvial-3=0 +method specified sample prep= +[FC_VGauge] +CI=NO_FCB +Gauge=HIVACGAUGE +Pressure=1.1E-05 +[Compliance] +_iscompliant=0 +_isRandR=0 +_isSecureFS=0 +_isSecureRemoteFS=0 diff --git a/tests/test_readers/data/agilent_csv/RAU-R505-09.D/RESULTS.CSV b/tests/test_readers/data/agilent_csv/RAU-R505-09.D/RESULTS.CSV new file mode 100644 index 0000000..8fb6b84 --- /dev/null +++ b/tests/test_readers/data/agilent_csv/RAU-R505-09.D/RESULTS.CSV @@ -0,0 +1,11 @@ +[contents] +count=1 +Name=,D:\MassHunter\GCMS\1\data\Elizabeth\B06\24.06.06\RAU-R505-9.D +1=,INT TIC: RAU-R505-9.D\data.ms +[INT TIC: RAU-R505-9.D\data.ms] +Time=,Fri Jun 07 15:59:18 2024 +Header=,"Peak","R.T.","First","Max","Last","PK TY","Height","Area","Pct Max","Pct Total" +1=, 1, 6.055, 857, 860, 878," M ",1517969, 13001668, 86.96, 34.523 +2=, 2, 6.301, 898, 903, 913," M ",1232880, 9438338, 63.13, 25.062 +3=, 3, 10.156, 1568,1570,1573," M ", 33901, 269693, 1.80, 0.716 +4=, 4, 10.287, 1590,1593,1610," M ",1400984, 14950665,100.00, 39.699 diff --git a/tests/test_readers/data/agilent_csv/RAU-R505-09.D/TEMPBASE b/tests/test_readers/data/agilent_csv/RAU-R505-09.D/TEMPBASE new file mode 100644 index 0000000..e69de29 diff --git a/tests/test_readers/data/agilent_csv/RAU-R505-09.D/acqmeth.txt b/tests/test_readers/data/agilent_csv/RAU-R505-09.D/acqmeth.txt new file mode 100644 index 0000000..c57730f Binary files /dev/null and b/tests/test_readers/data/agilent_csv/RAU-R505-09.D/acqmeth.txt differ diff --git a/tests/test_readers/data/agilent_csv/RAU-R505-09.D/checksum.xml b/tests/test_readers/data/agilent_csv/RAU-R505-09.D/checksum.xml new file mode 100644 index 0000000..bf9f02e --- /dev/null +++ b/tests/test_readers/data/agilent_csv/RAU-R505-09.D/checksum.xml @@ -0,0 +1,7 @@ + + + +
+ AF-51-79-42-F0-E6-D9-03-8F-00-25-35-92-88-F8-68-DD-AD-4B-B8-A0-62-C5-45-FE-D7-98-EF-71-0A-2F-89-F8-4B-F7-95-B8-F8-58-9B-4C-9F-7E-AD-4B-9D-E0-B2-67-13-B7-C9-3D-4D-66-CE-2C-7B-72-4A-7A-6F-C4-26 +
+ \ No newline at end of file diff --git a/tests/test_readers/data/agilent_csv/RAU-R505-09.D/data.ms b/tests/test_readers/data/agilent_csv/RAU-R505-09.D/data.ms new file mode 100644 index 0000000..13f8cac Binary files /dev/null and b/tests/test_readers/data/agilent_csv/RAU-R505-09.D/data.ms differ diff --git a/tests/test_readers/data/agilent_csv/RAU-R505-09.D/rteres.txt b/tests/test_readers/data/agilent_csv/RAU-R505-09.D/rteres.txt new file mode 100644 index 0000000..8ba8107 --- /dev/null +++ b/tests/test_readers/data/agilent_csv/RAU-R505-09.D/rteres.txt @@ -0,0 +1,30 @@ + Area Percent Report + + Data Path : D:\MassHunter\GCMS\1\data\Elizabeth\B06\24.06.06\ + Data File : RAU-R505-9.D + Acq On : 06 Jun 2024 17:49 + Operator : Iris + Sample : RAU-R505-9 + Misc : + ALS Vial : 10 Sample Multiplier: 1 + + Integration Parameters: autoint1.e + Integrator: ChemStation + + Method : D:\MassHunter\GCMS\1\methods\Janis12min.M + Title : + + Signal : TIC: RAU-R505-9.D\data.ms + + peak R.T. first max last PK peak corr. corr. % of + # min scan scan scan TY height area % max. total + --- ----- ----- ---- ---- --- ------- ------- ------ ------- + 1 6.055 857 860 878 M 1517969 13001668 86.96% 34.523% + 2 6.301 898 903 913 M 1232880 9438338 63.13% 25.062% + 3 10.156 1568 1570 1573 M 33901 269693 1.80% 0.716% + 4 10.287 1590 1593 1610 M 1400984 14950665 100.00% 39.699% + + + Sum of corrected areas: 37660364 + +Janis12min.M Fri Jun 07 15:59:18 2024 diff --git a/tests/test_readers/data/agilent_csv/RAU-R505-09.D/runstart.txt b/tests/test_readers/data/agilent_csv/RAU-R505-09.D/runstart.txt new file mode 100644 index 0000000..699c26b --- /dev/null +++ b/tests/test_readers/data/agilent_csv/RAU-R505-09.D/runstart.txt @@ -0,0 +1,64 @@ + Critical RunStart CP Variables + +CP Variable = Value + + Front Injector Available(_turretfrontavail) = 1 + Rear Injector Available(_turretrearavail) = 0 + Dual Injector Available(_turretdualavail) = 0 + + Injection Source(_injsource) = 1 1,2,3,4,5,6=ALS,Man,Valve,Ext.,PAL,HS,MiniTD + _injloc (_injloc) = 1 + MSD Sample(_msinlet) = 1 1,2=sample1=Front,sample2=Rear + + _ptavail : 1 _dopretreat : 0 _pretreatpath$ : D:\MassHunter\GCMS\1\PreTreat\ + _pretreatfile$ : _pretreatmeth$ : + + _Overlapped _overlap _ALSNEXT, _ALSNEXT2, _Lastlap 0 0 11 11 0 + +_overlapped: Is method currently overlapping? 0 +_overlap: Is hw capable of overlapping? 0 +_alsnext: Next vial front inlet? 11 +_lastlap: Indicator for last entry in SLT 0 + + _seqcheckbar: 0 On Mismatch, Inject Anyway + _seqcheckbarnext: 0 + Expected BCs : 2: + + Next Expected BCs : 2: + + Previous _checkbar : 0 + Previous _barmismatch: 0 + +_maxvial[] 1=150 2=0 3=0 + +Front Sample + + Alsbottle (_alsbottle) = 10 + Methfile (_methfile$) = Janis12min,1minsolventdelay.M + Datafile(,_datafile$) = RAU-R505-9.D + Sample Name (_dataname$) = RAU-R505-9 + Exp. Barcode(_expbarcode$)= + Miscellaneous (_miscinfo$) = + Vol. Override (_injvol) = 0 + Method Volume (_methvol) = 1 + SyringeVolume (_syrvol) = 10 + SyringeVolLow (_syrvollow) = 0 + Multiplier (_multiplr) = 1 + Sample Amt (_sampamt) = 0 + + +Rear Sample + + Alsbottle(_alsbottle2) = 0 + Datafile(_datafile2$) = RAU-R505-9.D + Sample Name(_dataname2$) = RAU-R505-9 + Exp. Barcode(_expbarcode2$) = + Miscellaneous(_miscinfo2$) = + Vol. Override(_injvol2) = 0 + Method Volume(_methvol2) = 0 + SyringeVolume(_syrvol2) = 0 + SyringeVolLow(_syrvollow2) = 0 + Multiplier(_multiplr2) = 1 + Sample Amt(_sampamt2) = 0 + +Thu Jun 06 17:40:09 2024 diff --git a/tests/test_readers/data/agilent_csv/RAU-R505-09.D/tic_front.csv b/tests/test_readers/data/agilent_csv/RAU-R505-09.D/tic_front.csv new file mode 100644 index 0000000..5f20908 --- /dev/null +++ b/tests/test_readers/data/agilent_csv/RAU-R505-09.D/tic_front.csv @@ -0,0 +1,2014 @@ +D:\MassHunter\GCMS\1\data\Elizabeth\B06\24.06.06\RAU-R505-9.D 06 Jun 24 05:49 pm +Start of data points +1.09288,28119020 +1.09867,27680392 +1.10443,26619122 +1.11022,25973940 +1.11598,25397156 +1.12177,24817488 +1.12753,24292918 +1.13332,23910572 +1.13908,23303662 +1.14487,22989960 +1.15063,22503554 +1.15642,26194688 +1.16218,605942 +1.16797,470605 +1.17373,415162 +1.17952,396400 +1.1853,458957 +1.19107,638530 +1.19685,979104 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new file mode 100644 index 0000000..43dd241 --- /dev/null +++ b/tests/test_readers/data/agilent_csv/RAU-R505-10.D/AcqData-CumulativeAuditTrail.xml @@ -0,0 +1,17 @@ + + + + 0 + WS-CZC83174R0 + system + 2024-06-06T18:02:10.6986564+02:00 + Data collection has been initiated. + + + 1 + WS-CZC83174R0 + system + 2024-06-06T18:23:55.1917977+02:00 + Data has been collected and saved. + + \ No newline at end of file diff --git a/tests/test_readers/data/agilent_csv/RAU-R505-10.D/AcqData/Contents.xml b/tests/test_readers/data/agilent_csv/RAU-R505-10.D/AcqData/Contents.xml new file mode 100644 index 0000000..f44be24 --- /dev/null +++ b/tests/test_readers/data/agilent_csv/RAU-R505-10.D/AcqData/Contents.xml @@ -0,0 +1,17 @@ + + + 3 + + + 2024-06-06T18:11:12.8373135+02:00 + + 2 + 5977B MSD + + 0 + + 2 + + 2 + MassHunter GC/MS Acquisition B.07.06.2704 18-Jul-2017 Copyright © 1989-2017 Agilent Technologies, Inc. + \ No newline at end of file diff --git a/tests/test_readers/data/agilent_csv/RAU-R505-10.D/AcqData/Devices.xml b/tests/test_readers/data/agilent_csv/RAU-R505-10.D/AcqData/Devices.xml new file mode 100644 index 0000000..0b92837 --- /dev/null +++ b/tests/test_readers/data/agilent_csv/RAU-R505-10.D/AcqData/Devices.xml @@ -0,0 +1,16 @@ + + + 1 + + SingleQuadrupole + 7.6.0.0 + 6.00.34 + 5977 + 1 + US1827R022 + 2 + 8 + 0 + 1 + + \ No newline at end of file diff --git a/tests/test_readers/data/agilent_csv/RAU-R505-10.D/AcqData/Janis12min,1minsolventdelay.M/acq.ms b/tests/test_readers/data/agilent_csv/RAU-R505-10.D/AcqData/Janis12min,1minsolventdelay.M/acq.ms new file mode 100644 index 0000000..2fcdc23 --- /dev/null +++ b/tests/test_readers/data/agilent_csv/RAU-R505-10.D/AcqData/Janis12min,1minsolventdelay.M/acq.ms @@ -0,0 +1,146 @@ +[Signature] +ID=00000000000000000000000000000000 + +[Version] +ID=G1701CA Version: C.00.00 + +[General] +Type=6 +Inlet=0 +Start Mode=0 +Run Duration=39000 +Solvent Delay=1 +Tune File=ATUNE.U +Group Ions=1 +Acq Mode=0 +Gauges=2 +Fast Scan=0 +TID=0 +EMSaver=0 + +[Zone 1] +ID=1 +On=1 +Soft Max=200 +Set Point=150 +Type=0 + +[Zone 2] +ID=0 +On=1 +Soft Max=250 +Set Point=230 +Type=0 + +[Zone 3] +ID=-1 +On=0 +Soft Max=0 +Set Point=0 +Type=0 + +[Ions 1] +Group Name=OFN-272-LR +Start Time=4.2 +Resolution=1 +Plot Index 1=0 +Number of Ions=1 +Ion 1=272.00,50 +Group EMV Setting=10 +Use Group EMV Setting=true +IonL1= + +[Scan 1] +Start Time=1 +Low Mass=45 +High Mass=550 +Threshold=150 +Sampling=4 +Low Plot 1= +Low Plot 2= +High Plot 1= +High Plot 2= + +[Scan 2] + +[Scan 3] + +[Filters] +Mass Type=0 +Mass Param=0 +Mass Sigma=0 +Time Type=0 +Time Param=0 +Time Sigma=0 + +[Plot] +Plot Type 1=0 +Time Plot 1=0 +Min Plot 1=0 +Max Plot 1=0 +Left Plot 1=0.000000 +Top Plot 1=0.085653 +Width Plot 1=0.520196 +Height Plot 1=0.625268 +Mode Plot 1=2 +Plot Type 2=2 +Time Plot 2=0 +Min Plot 2=0 +Max Plot 2=0 +Left Plot 2=0.198286 +Top Plot 2=0.197002 +Width Plot 2=0.499388 +Height Plot 2=0.501071 +Mode Plot 2=2 +X Gadget Pos 1=5 +Y Gadget Pos 1=230 +X Gadget Pos 2=130 +Y Gadget Pos 2=230 +Low Mass 1=1.6 +High Mass 1=1050 +Plot Label 1= +Low Mass 2=1.6 +High Mass 2=1050 +Plot Label 2= + +[Gauge1] +Type=2 +ID=1 +Display Type=0 +Left Plot=380 +Top Plot=230 +Alarm Error=100.00 +Alarm Warning=100.00 +Alarm Minimum=0.00 +Alarm Set=0 + +[Gauge2] +Type=2 +ID=0 +Display Type=0 +Left Plot=255 +Top Plot=230 +Alarm Error=100.00 +Alarm Warning=100.00 +Alarm Minimum=0.00 +Alarm Set=0 + + +[Parameters] +ID 1=7 +Mode 1=2 +Value 1=1.000000 +ID 2=-1 +Mode 2=0 +Value 2=0.000000 +[Time Events] +Number Events=0 +[SCIS] +H2FlowRate=0.13 +Emission=10 +SourceTemperature=230 +QuadrupoleTemperature=150 +Duration=1.3 +StabilizationDuration=0.166666666666667 +Filament=2 +Mode=None diff --git a/tests/test_readers/data/agilent_csv/RAU-R505-10.D/AcqData/MSPeak.bin b/tests/test_readers/data/agilent_csv/RAU-R505-10.D/AcqData/MSPeak.bin new file mode 100644 index 0000000..d8b7f69 Binary files /dev/null and b/tests/test_readers/data/agilent_csv/RAU-R505-10.D/AcqData/MSPeak.bin differ diff --git a/tests/test_readers/data/agilent_csv/RAU-R505-10.D/AcqData/MSScan.bin b/tests/test_readers/data/agilent_csv/RAU-R505-10.D/AcqData/MSScan.bin new file mode 100644 index 0000000..d575c04 Binary files /dev/null and b/tests/test_readers/data/agilent_csv/RAU-R505-10.D/AcqData/MSScan.bin differ diff --git a/tests/test_readers/data/agilent_csv/RAU-R505-10.D/AcqData/MSScan.xsd b/tests/test_readers/data/agilent_csv/RAU-R505-10.D/AcqData/MSScan.xsd new file mode 100644 index 0000000..5157805 --- /dev/null +++ b/tests/test_readers/data/agilent_csv/RAU-R505-10.D/AcqData/MSScan.xsd @@ -0,0 +1,92 @@ + + + + + + + + MSScan binary file index record details + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + diff --git a/tests/test_readers/data/agilent_csv/RAU-R505-10.D/AcqData/MSTS.xml b/tests/test_readers/data/agilent_csv/RAU-R505-10.D/AcqData/MSTS.xml new file mode 100644 index 0000000..3de75d5 --- /dev/null +++ b/tests/test_readers/data/agilent_csv/RAU-R505-10.D/AcqData/MSTS.xml @@ -0,0 +1,14 @@ + + + 3 + + + 0 + + 650 + 2012 + + 0 + + 0 + \ No newline at end of file diff --git a/tests/test_readers/data/agilent_csv/RAU-R505-10.D/AcqData/sample_info.xml b/tests/test_readers/data/agilent_csv/RAU-R505-10.D/AcqData/sample_info.xml new file mode 100644 index 0000000..40483ca --- /dev/null +++ b/tests/test_readers/data/agilent_csv/RAU-R505-10.D/AcqData/sample_info.xml @@ -0,0 +1,264 @@ + + 1.0 + + Dilution + Dilution + 1 + 8 + + + + + Inj Vol (µl) + Inj Vol (µl) + 1 + 8 + + + + + Wt/Vol + Wt/Vol + 0 + 8 + + + + + Sample ID + Sample ID + + + 8 + + + + + Sample Name + Sample Name + RAU-R505-10 + 8 + + + + + Sample Position + Sample Position + 11 + 8 + + + + + Sample Type + Sample Type + + + 8 + + + + + Data File + Data File + D:\MassHunter\GCMS\1\data\Elizabeth\B06\24.06.06\RAU-R505-10.D + 8 + + + + + Method + Method + D:\MassHunter\GCMS\1\methods\Janis12min,1minsolventdelay.M + 8 + + + + + Override DA Method + Override DA Method + + + 8 + + + + + Level Name + Level Name + + + 8 + + + + + Comment + Comment + + + 8 + + + + + Balance Override + Balance Override + + + 8 + + + + + Barcode + Barcode + + + 8 + + + + + Equilib Time (min) + Equilib Time (min) + 0 + 8 + + + + + Plate Code + Plate Code + + + 8 + + + + + Plate Position + Plate Position + + + 8 + + + + + Rack Code + Rack Code + + + 8 + + + + + Rack Position + Rack Position + + + 8 + + + + + 11659306743 + Expected Barcode + + + 8 + + + + + 22047599966 + Sample Amount + + + 8 + + + + + 31566078546 + Dual Inj Vol + 1 + 8 + + + + + 41698608520 + TuneName + ATUNE.U + 8 + + + + + 51770285732 + TunePath + D:\MassHunter\GCMS\1\5977\ + 8 + + + + + 61713999276 + TuneDateStamp + 2023-11-20T11:52:13+01:00 + 8 + + + + + 7813987704 + MSFirmwareVersion + 6.00.34 + 8 + + + + + OperatorName + OperatorName + Iris + 8 + + + + + AcqTime + AcqTime + 2024-06-06T18:11:12.8373135+02:00 + 8 + + + + + SampleLockedRunMode + SampleLockedRunMode + False + 8 + + + + + RunCompletedFlag + RunCompletedFlag + True + 8 + + + + + InstrumentName + InstrumentName + 5977B MSD + 8 + + + + \ No newline at end of file diff --git a/tests/test_readers/data/agilent_csv/RAU-R505-10.D/AcqData/sequence.xml b/tests/test_readers/data/agilent_csv/RAU-R505-10.D/AcqData/sequence.xml new file mode 100644 index 0000000..b097d99 --- /dev/null +++ b/tests/test_readers/data/agilent_csv/RAU-R505-10.D/AcqData/sequence.xml @@ -0,0 +1,57 @@ + + + 0 + 0 + Janis12min,1minsolventdelay + D:\MassHunter\GCMS\1\methods\ + + false + + + + RAU-R505-10 + D:\MassHunter\GCMS\1\data\Elizabeth\B06\24.06.06\ + 1 + false + + 11 + 0 + 0 + + 1 + 1 + 5977B MSD + SingleQuadrupole + + + + + false + + 2 + + + + RAU-R505-10 + dummy + + + Sample + + None + None + None + None + + + + + + + + + + + 11 + + \ No newline at end of file diff --git a/tests/test_readers/data/agilent_csv/RAU-R505-10.D/GC.ini b/tests/test_readers/data/agilent_csv/RAU-R505-10.D/GC.ini new file mode 100644 index 0000000..0082798 --- /dev/null +++ b/tests/test_readers/data/agilent_csv/RAU-R505-10.D/GC.ini @@ -0,0 +1,284 @@ +[7890 DriverItem] +gc.fw=B.02.05.1 +gc.sn=CN18333156 +gc.ready=3 +gc.status=1 +ALS.fr.present=1 +ALS.fr.syringe=10 +ALS.fr.volume=1 +ALS.bk.present=0 +ALS.bk.syringe=-1.79769313486232E+308 +ALS.bk.volume=-1.79769313486232E+308 +ALS.tray.present=1 +ALS.bcr.present=0 +gc.runlength=12.7142857142857 +gc.runtime=12.7136728999903 +gc.postrun=0 +gc.posttime=-1.79769313486232E+308 +gc.pressureunits=1 +Oven.T.state=1 +Oven.T.actual=262.0943291 +Oven.T.setpoint=30 +oven.T.ramp=30,30,4,35,300,1 +inlet.fr.T.state=1 +inlet.fr.T.actual=250.0534521 +inlet.fr.T.setpoint=250 +inlet.fr.column=1 +inlet.bk.T.state=-1.79769313486232E+308 +inlet.bk.T.actual=-1.79769313486232E+308 +inlet.bk.T.setpoint=-1.79769313486232E+308 +inlet.bk.column=-1.79769313486232E+308 +inlet.fr.gas=He +inlet.fr.p.actual=2377796 +inlet.fr.f.actual=23.07220075 +inlet.fr.mode=SPLIT +inlet.fr.splitratio=50 +inlet.bk.gas=!HW Item is not supported +inlet.bk.p.actual=-1.79769313486232E+308 +inlet.bk.f.actual=-1.79769313486232E+308 +inlet.bk.mode=!HW Item is not supported +inlet.bk.splitratio=-1.79769313486232E+308 +Column.1.F.actual=0.9791297911 +Column.2.F.actual=1.504868738 +Column.3.F.actual=0 +Column.4.F.actual=0 +Column.5.F.actual=0 +Column.6.F.actual=0 +column.1.L=30 +column.1.D=0.00025 +column.1.t=2.5E-07 +column.1.max=325 +column.1.name=Agilent 19091S-433 +column.1.type=HP-5MS 5% Phenyl Methyl Silox +column.2.L=0.4 +column.2.D=0.0001 +column.2.t=0 +column.2.max=350 +column.2.name= +column.3.L=25 +column.3.D=0.00032 +column.3.t=0 +column.3.max=450 +column.3.name= +column.4.L=25 +column.4.D=0.00032 +column.4.t=0 +column.4.max=450 +column.4.name= +column.5.L=25 +column.5.D=0.00032 +column.5.t=0 +column.5.max=450 +column.5.name= +column.6.L=25 +column.6.D=0.00032 +column.6.t=0 +column.6.max=450 +column.6.name= +Column.1.description.Present=true +Column.1.description.NominalLength=30 +Column.1.description.NominalDiameter=0.00025 +Column.1.description.FilmThickness=2.5E-07 +Column.1.description.InletConnection=FRONT_INLET +Column.1.description.OutletConnection=AUX_PRESSURE_3 +Column.1.description.CalculatedLength=30 +Column.1.description.CalculatedDiameter=0.00025 +Column.1.description.CalibrationMode=UNCALIBRATED +Column.1.description.CalibrationDateTime=2000-01-02T00:00:00 +Column.1.description.ColumnMaxTemp=325 +Column.1.description.Name=Agilent 19091S-433 +Column.1.description.Type=HP-5MS 5% Phenyl Methyl Silox +Column.1.description.SerialNumber=93.92873 +Column.2.description.Present=true +Column.2.description.NominalLength=0.4 +Column.2.description.NominalDiameter=0.0001 +Column.2.description.FilmThickness=0 +Column.2.description.InletConnection=AUX_PRESSURE_3 +Column.2.description.OutletConnection=VACUUM +Column.2.description.CalculatedLength=0.4 +Column.2.description.CalculatedDiameter=0.0001 +Column.2.description.CalibrationMode=UNCALIBRATED +Column.2.description.CalibrationDateTime=2000-01-02T00:00:00 +Column.2.description.ColumnMaxTemp=350 +Column.2.description.Name= +Column.2.description.Type="" +Column.2.description.SerialNumber="" +Column.3.description.Present=true +Column.3.description.NominalLength=25 +Column.3.description.NominalDiameter=0.00032 +Column.3.description.FilmThickness=0 +Column.3.description.InletConnection=NONE +Column.3.description.OutletConnection=NONE +Column.3.description.CalculatedLength=25 +Column.3.description.CalculatedDiameter=0.00032 +Column.3.description.CalibrationMode=UNCALIBRATED +Column.3.description.CalibrationDateTime=2000-01-02T00:00:00 +Column.3.description.ColumnMaxTemp=450 +Column.3.description.Name= +Column.3.description.Type="" +Column.3.description.SerialNumber="" +Column.4.description.Present=true +Column.4.description.NominalLength=25 +Column.4.description.NominalDiameter=0.00032 +Column.4.description.FilmThickness=0 +Column.4.description.InletConnection=NONE +Column.4.description.OutletConnection=NONE +Column.4.description.CalculatedLength=25 +Column.4.description.CalculatedDiameter=0.00032 +Column.4.description.CalibrationMode=UNCALIBRATED +Column.4.description.CalibrationDateTime=2000-01-02T00:00:00 +Column.4.description.ColumnMaxTemp=450 +Column.4.description.Name= +Column.4.description.Type="" +Column.4.description.SerialNumber="" +Column.5.description.Present=true +Column.5.description.NominalLength=25 +Column.5.description.NominalDiameter=0.00032 +Column.5.description.FilmThickness=0 +Column.5.description.InletConnection=NONE +Column.5.description.OutletConnection=NONE +Column.5.description.CalculatedLength=25 +Column.5.description.CalculatedDiameter=0.00032 +Column.5.description.CalibrationMode=UNCALIBRATED +Column.5.description.CalibrationDateTime=2000-01-02T00:00:00 +Column.5.description.ColumnMaxTemp=450 +Column.5.description.Name= +Column.5.description.Type="" +Column.5.description.SerialNumber="" +Column.6.description.Present=true +Column.6.description.NominalLength=25 +Column.6.description.NominalDiameter=0.00032 +Column.6.description.FilmThickness=0 +Column.6.description.InletConnection=NONE +Column.6.description.OutletConnection=NONE +Column.6.description.CalculatedLength=25 +Column.6.description.CalculatedDiameter=0.00032 +Column.6.description.CalibrationMode=UNCALIBRATED +Column.6.description.CalibrationDateTime=2000-01-02T00:00:00 +Column.6.description.ColumnMaxTemp=450 +Column.6.description.Name= +Column.6.description.Type="" +Column.6.description.SerialNumber="" +det.fr.T.state=-1.79769313486232E+308 +det.fr.T.setpoint=-1.79769313486232E+308 +det.fr.T.actual=-1.79769313486232E+308 +det.fr.Signal.actual=-1.79769313486232E+308 +det.fr.Fuel.actual=-1.79769313486232E+308 +det.fr.Utility.actual=-1.79769313486232E+308 +det.fr.makeup.actual=-1.79769313486232E+308 +det.bk.T.state=-1.79769313486232E+308 +det.bk.T.setpoint=-1.79769313486232E+308 +det.bk.T.actual=-1.79769313486232E+308 +det.bk.Signal.actual=-1.79769313486232E+308 +det.bk.Fuel.actual=-1.79769313486232E+308 +det.bk.Utility.actual=-1.79769313486232E+308 +det.bk.makeup.actual=-1.79769313486232E+308 +det.aux.T.state=-1.79769313486232E+308 +det.aux.T.setpoint=-1.79769313486232E+308 +det.aux.T.actual=-1.79769313486232E+308 +det.aux.Signal.actual=-1.79769313486232E+308 +det.aux.Fuel.actual=-1.79769313486232E+308 +det.aux.Utility.actual=-1.79769313486232E+308 +det.aux.makeup.actual=-1.79769313486232E+308 +det.4th.T.state=-1.79769313486232E+308 +det.4th.T.setpoint=-1.79769313486232E+308 +det.4th.T.actual=-1.79769313486232E+308 +det.4th.Signal.actual=-1.79769313486232E+308 +det.4th.Fuel.actual=-1.79769313486232E+308 +det.4th.Utility.actual=-1.79769313486232E+308 +det.4th.makeup.actual=-1.79769313486232E+308 +AuxH.1.T.state=-1.79769313486232E+308 +AuxH.1.T.type=-1.79769313486232E+308 +AuxH.1.T.actual=-1.79769313486232E+308 +AuxH.1.T.setpoint=-1.79769313486232E+308 +AuxH.2.T.state=1 +AuxH.2.T.type=-1.79769313486232E+308 +AuxH.2.T.actual=280.0808291 +AuxH.2.T.setpoint=280 +AuxH.3.T.state=-1.79769313486232E+308 +AuxH.3.T.type=-1.79769313486232E+308 +AuxH.3.T.actual=-1.79769313486232E+308 +AuxH.3.T.setpoint=-1.79769313486232E+308 +rtlpressure=1377294.63663279 +rtlpressure.1=1377294.63663279 +rtlpressure.2=879395.685196652 +rtlpressure.3=-1.79769313486232E+308 +rtlpressure.4=-1.79769313486232E+308 +rtlpressure.5=-1.79769313486232E+308 +rtlpressure.6=-1.79769313486232E+308 +Valve.1.state=0 +Valve.2.state=0 +Valve.3.state=0 +Valve.4.state=0 +Valve.5.state=0 +Valve.6.state=0 +Valve.7.state=0 +Valve.8.state=0 +APC.1.A.P.actual=446583 +APC.1.B.P.actual=12270 +APC.1.C.P.actual=1449666 +APC.2.A.P.actual=-1.79769313486232E+308 +APC.2.B.P.actual=-1.79769313486232E+308 +APC.2.C.P.actual=-1.79769313486232E+308 +APC.3.A.P.actual=-1.79769313486232E+308 +APC.3.B.P.actual=-1.79769313486232E+308 +APC.3.C.P.actual=-1.79769313486232E+308 +APC.1.A.P.setpoint=689475.7 +APC.1.B.P.setpoint=689475.7 +APC.1.C.P.setpoint=879395.6852 +APC.2.A.P.setpoint=-1.79769313486232E+308 +APC.2.B.P.setpoint=-1.79769313486232E+308 +APC.2.C.P.setpoint=-1.79769313486232E+308 +APC.3.A.P.setpoint=-1.79769313486232E+308 +APC.3.B.P.setpoint=-1.79769313486232E+308 +APC.3.C.P.setpoint=-1.79769313486232E+308 +APC.1.A.gas=He +APC.1.B.gas=He +APC.1.C.gas=He +APC.2.A.gas=!HW Item is not supported +APC.2.B.gas=!HW Item is not supported +APC.2.C.gas=!HW Item is not supported +APC.3.A.gas=!HW Item is not supported +APC.3.B.gas=!HW Item is not supported +APC.3.C.gas=!HW Item is not supported +pcm.1.a.P.setpoint=-1.79769313486232E+308 +pcm.1.b.P.setpoint=-1.79769313486232E+308 +pcm.2.a.P.setpoint=-1.79769313486232E+308 +pcm.2.b.P.setpoint=-1.79769313486232E+308 +pcm.3.a.P.setpoint=-1.79769313486232E+308 +pcm.3.b.P.setpoint=-1.79769313486232E+308 +pcm.1.a.P.actual=-1.79769313486232E+308 +pcm.1.b.P.actual=-1.79769313486232E+308 +pcm.2.a.P.actual=-1.79769313486232E+308 +pcm.2.b.P.actual=-1.79769313486232E+308 +pcm.3.a.P.actual=-1.79769313486232E+308 +pcm.3.b.P.actual=-1.79769313486232E+308 +pcm.1.a.F.actual=-1.79769313486232E+308 +pcm.1.b.F.actual=-1.79769313486232E+308 +pcm.2.a.F.actual=-1.79769313486232E+308 +pcm.2.b.F.actual=-1.79769313486232E+308 +pcm.3.a.F.actual=-1.79769313486232E+308 +pcm.3.b.F.actual=-1.79769313486232E+308 +pcm.1.a.gas=-1.79769313486232E+308 +pcm.1.b.gas=-1.79769313486232E+308 +pcm.2.a.gas=-1.79769313486232E+308 +pcm.2.b.gas=-1.79769313486232E+308 +pcm.3.a.gas=-1.79769313486232E+308 +pcm.3.b.gas=-1.79769313486232E+308 +AuxP.1.P.actual=446567 +AuxP.2.P.actual=12242 +AuxP.3.P.actual=1430963 +AuxP.4.P.actual=-1.79769313486232E+308 +AuxP.5.P.actual=-1.79769313486232E+308 +AuxP.6.P.actual=-1.79769313486232E+308 +AuxP.7.P.actual=-1.79769313486232E+308 +AuxP.8.P.actual=-1.79769313486232E+308 +AuxP.9.P.actual=-1.79769313486232E+308 +Parameter name: APC.3.C.gas +Parameter name: APC.3.B.gas +Parameter name: APC.3.A.gas +Parameter name: APC.2.C.gas +Parameter name: APC.2.B.gas +Parameter name: APC.2.A.gas +Parameter name: inlet.bk.mode +Parameter name: inlet.bk.gas diff --git a/tests/test_readers/data/agilent_csv/RAU-R505-10.D/PRE_POST.INI b/tests/test_readers/data/agilent_csv/RAU-R505-10.D/PRE_POST.INI new file mode 100644 index 0000000..cf7d149 --- /dev/null +++ b/tests/test_readers/data/agilent_csv/RAU-R505-10.D/PRE_POST.INI @@ -0,0 +1,115 @@ +[POSTRUN] +SOURCE=MS +Application=MassHunter GC/MS Acquisition B.07.06.2704 18-Jul-2017 Copyright © 1989-2017 Agilent Technologies, Inc. +Date=Thu Jun 06 18:23:57 2024 +SampleAmount=0 +Multiplier=1 +SmartCard=AGILENT TECHNOLOGIES,5977,US1827R022,6.00.34 +serial_n=US1827R022 +acqmode=0 +TuneName=ATUNE.U +TunePath=D:\MassHunter\GCMS\1\5977\ +TuneDate=20 Nov 2023 11:52 am +CImode=0 +CIpolarity=0 +SourceTemp=230 +QuadTemp=150 +Pressure=1.09E-05 +Matrix=1 +InitialAmt=1 +FinalAmt=1 +PrimaryFile=\data.ms +PrimaryType=hgfile +DataRecord=REV2:PARAFIT3 +SourceConf=101 +Observedm1=68.9963994372028 +Observedm2=218.954766989366 +Observedm3=502.003028423966 +Instrument Name=5977B MSD +controller=Top Sequence +timestamp=MS ChemStation +[Scan Parameters] +scanstart1=1 +lowmass1=45 +highmass1=550 +[TuneValues] +massgain=53 +massoffset=-26 +amugain=2335 +amuoffset=134.25 +dcpolarity=0 +emission=34.592541048648 +electron=70.0073246658121 +emvolts=1180.00366233291 +ACTUAL_EMVOLTS=1164.1 +GAIN FACTOR= 1.00 +entrance_lens=22.6722032242306 +filament=1 +ionfocus=90.3308509339519 +repeller=19.7593791966793 +entlensoffset=14.1102429495788 +[MS_Faults] +NUM_MS_Faults=0 +[firmware] +MSSC=6.00.34 +BSP=1.2/27.16T +HTTP=0.1 +LUI=04.32A.20160325 +[Type] +Type=1 +MHAcq=1 +[Sequence] +_methpath$=D:\MassHunter\GCMS\1\methods\ +_methfile$=Janis12min,1minsolventdelay.M +SeqFileName=D:\MassHunter\GCMS\1\sequence\IrisH.sequence.xml +[HW Config] +Smartcard=SC3.3 (SC33,40.0,32M,0K,64M,0x3722) +Sideboard=5975HI_SIDEBOARD +Log Amplifier=LOG02,121,54,2,CAL,y618051086 +Vacuum Pump=TURBO_PUMP +Vacuum Guage=HIVACGAUGE +CI Flow Control=NO_FCB +HES Driver PCA=SRC_PCA_TYPE_UNK +[Factors] +Mist=20 +Scan=NORM +A/Ds=16.00 +AVG.=1 +Samp=4 +Step=0.03 +Filter=Mass:ISTD +Qual=PARAFIT3 +SimSampPer=16 +Madly=800,9 +5975NoiseReduction=1 +5975EMSaver=-1 +LagFactors=-0.0285:8e-05:0 +tbyrst=40 +mbyrst=40 +tdomain=COEF,1.000000 +mdomain=-0.005964,-0.016017,0.008343,0.108516,0.247621 +[GainCoefficients] +Squared_=16.922441816685 +Linear__=48.3105062581599 +Constant=499.506255040877 +[Injection] +Tower=0 +F. SyringeVolume=10 +F. MethodVolume=1 +F. OverrideVolume=0 +R. SyringeVolume=0 +R. MethodVolume=0 +R. OverrideVolume=0 +Maxvial-1=150 +Maxvial-2=0 +Maxvial-3=0 +method specified sample prep= +[FC_VGauge] +CI=NO_FCB +Gauge=HIVACGAUGE +Pressure=1.1E-05 +[Compliance] +_iscompliant=0 +_isRandR=0 +_isSecureFS=0 +_isSecureRemoteFS=0 diff --git a/tests/test_readers/data/agilent_csv/RAU-R505-10.D/RESULTS.CSV b/tests/test_readers/data/agilent_csv/RAU-R505-10.D/RESULTS.CSV new file mode 100644 index 0000000..2c4e985 --- /dev/null +++ b/tests/test_readers/data/agilent_csv/RAU-R505-10.D/RESULTS.CSV @@ -0,0 +1,11 @@ +[contents] +count=1 +Name=,D:\MassHunter\GCMS\1\data\Elizabeth\B06\24.06.06\RAU-R505-10.D +1=,INT TIC: RAU-R505-10.D\data.ms +[INT TIC: RAU-R505-10.D\data.ms] +Time=,Fri Jun 07 15:59:34 2024 +Header=,"Peak","R.T.","First","Max","Last","PK TY","Height","Area","Pct Max","Pct Total" +1=, 1, 6.055, 856, 860, 877," M ",1401139, 12027626, 76.35, 32.430 +2=, 2, 6.301, 898, 903, 910," M ",1195261, 8933403, 56.71, 24.087 +3=, 3, 10.155, 1568,1570,1574," M ", 40475, 373163, 2.37, 1.006 +4=, 4, 10.287, 1589,1593,1607," M ",1473608, 15754168,100.00, 42.477 diff --git a/tests/test_readers/data/agilent_csv/RAU-R505-10.D/TEMPBASE b/tests/test_readers/data/agilent_csv/RAU-R505-10.D/TEMPBASE new file mode 100644 index 0000000..e69de29 diff --git a/tests/test_readers/data/agilent_csv/RAU-R505-10.D/acqmeth.txt b/tests/test_readers/data/agilent_csv/RAU-R505-10.D/acqmeth.txt new file mode 100644 index 0000000..05b765c Binary files /dev/null and b/tests/test_readers/data/agilent_csv/RAU-R505-10.D/acqmeth.txt differ diff --git a/tests/test_readers/data/agilent_csv/RAU-R505-10.D/checksum.xml b/tests/test_readers/data/agilent_csv/RAU-R505-10.D/checksum.xml new file mode 100644 index 0000000..41b802f --- /dev/null +++ b/tests/test_readers/data/agilent_csv/RAU-R505-10.D/checksum.xml @@ -0,0 +1,7 @@ + + + +
+ 7A-5B-5B-F0-FF-44-86-E7-93-E2-02-C3-B2-5C-D6-1D-6C-DB-16-95-E5-35-B3-49-CD-15-5C-6C-E4-74-84-E2-6D-4A-8F-BC-B3-93-5D-62-44-44-02-E9-7E-70-0F-A2-A9-8F-47-20-E9-B6-99-CA-56-CA-EB-A7-9A-E3-43-EF +
+ \ No newline at end of file diff --git a/tests/test_readers/data/agilent_csv/RAU-R505-10.D/data.ms b/tests/test_readers/data/agilent_csv/RAU-R505-10.D/data.ms new file mode 100644 index 0000000..5ff071c Binary files /dev/null and b/tests/test_readers/data/agilent_csv/RAU-R505-10.D/data.ms differ diff --git a/tests/test_readers/data/agilent_csv/RAU-R505-10.D/rteres.txt b/tests/test_readers/data/agilent_csv/RAU-R505-10.D/rteres.txt new file mode 100644 index 0000000..f79bbd5 --- /dev/null +++ b/tests/test_readers/data/agilent_csv/RAU-R505-10.D/rteres.txt @@ -0,0 +1,30 @@ + Area Percent Report + + Data Path : D:\MassHunter\GCMS\1\data\Elizabeth\B06\24.06.06\ + Data File : RAU-R505-10.D + Acq On : 06 Jun 2024 18:11 + Operator : Iris + Sample : RAU-R505-10 + Misc : + ALS Vial : 11 Sample Multiplier: 1 + + Integration Parameters: autoint1.e + Integrator: ChemStation + + Method : D:\MassHunter\GCMS\1\methods\Janis12min.M + Title : + + Signal : TIC: RAU-R505-10.D\data.ms + + peak R.T. first max last PK peak corr. corr. % of + # min scan scan scan TY height area % max. total + --- ----- ----- ---- ---- --- ------- ------- ------ ------- + 1 6.055 856 860 877 M 1401139 12027626 76.35% 32.430% + 2 6.301 898 903 910 M 1195261 8933403 56.71% 24.087% + 3 10.155 1568 1570 1574 M 40475 373163 2.37% 1.006% + 4 10.287 1589 1593 1607 M 1473608 15754168 100.00% 42.477% + + + Sum of corrected areas: 37088359 + +Janis12min.M Fri Jun 07 15:59:34 2024 diff --git a/tests/test_readers/data/agilent_csv/RAU-R505-10.D/runstart.txt b/tests/test_readers/data/agilent_csv/RAU-R505-10.D/runstart.txt new file mode 100644 index 0000000..9058913 --- /dev/null +++ b/tests/test_readers/data/agilent_csv/RAU-R505-10.D/runstart.txt @@ -0,0 +1,64 @@ + Critical RunStart CP Variables + +CP Variable = Value + + Front Injector Available(_turretfrontavail) = 1 + Rear Injector Available(_turretrearavail) = 0 + Dual Injector Available(_turretdualavail) = 0 + + Injection Source(_injsource) = 1 1,2,3,4,5,6=ALS,Man,Valve,Ext.,PAL,HS,MiniTD + _injloc (_injloc) = 1 + MSD Sample(_msinlet) = 1 1,2=sample1=Front,sample2=Rear + + _ptavail : 1 _dopretreat : 0 _pretreatpath$ : D:\MassHunter\GCMS\1\PreTreat\ + _pretreatfile$ : _pretreatmeth$ : + + _Overlapped _overlap _ALSNEXT, _ALSNEXT2, _Lastlap 0 0 12 12 0 + +_overlapped: Is method currently overlapping? 0 +_overlap: Is hw capable of overlapping? 0 +_alsnext: Next vial front inlet? 12 +_lastlap: Indicator for last entry in SLT 0 + + _seqcheckbar: 0 On Mismatch, Inject Anyway + _seqcheckbarnext: 0 + Expected BCs : 2: + + Next Expected BCs : 2: + + Previous _checkbar : 0 + Previous _barmismatch: 0 + +_maxvial[] 1=150 2=0 3=0 + +Front Sample + + Alsbottle (_alsbottle) = 11 + Methfile (_methfile$) = Janis12min,1minsolventdelay.M + Datafile(,_datafile$) = RAU-R505-10.D + Sample Name (_dataname$) = RAU-R505-10 + Exp. Barcode(_expbarcode$)= + Miscellaneous (_miscinfo$) = + Vol. Override (_injvol) = 0 + Method Volume (_methvol) = 1 + SyringeVolume (_syrvol) = 10 + SyringeVolLow (_syrvollow) = 0 + Multiplier (_multiplr) = 1 + Sample Amt (_sampamt) = 0 + + +Rear Sample + + Alsbottle(_alsbottle2) = 0 + Datafile(_datafile2$) = RAU-R505-10.D + Sample Name(_dataname2$) = RAU-R505-10 + Exp. Barcode(_expbarcode2$) = + Miscellaneous(_miscinfo2$) = + Vol. Override(_injvol2) = 0 + Method Volume(_methvol2) = 0 + SyringeVolume(_syrvol2) = 0 + SyringeVolLow(_syrvollow2) = 0 + Multiplier(_multiplr2) = 1 + Sample Amt(_sampamt2) = 0 + +Thu Jun 06 18:02:09 2024 diff --git a/tests/test_readers/data/agilent_csv/RAU-R505-10.D/tic_front.csv b/tests/test_readers/data/agilent_csv/RAU-R505-10.D/tic_front.csv new file mode 100644 index 0000000..2423024 --- /dev/null +++ b/tests/test_readers/data/agilent_csv/RAU-R505-10.D/tic_front.csv @@ -0,0 +1,2014 @@ +D:\MassHunter\GCMS\1\data\Elizabeth\B06\24.06.06\RAU-R505-10.D 06 Jun 24 06:11 pm +Start of data points +1.09285,27946584 +1.09862,27462036 +1.1044,26565406 +1.11017,25966218 +1.11595,25394810 +1.12172,24930826 +1.1275,24181930 +1.13327,23718806 +1.13905,23311708 +1.14482,22911716 +1.1506,23231092 +1.15637,24084436 +1.16215,639958 +1.16792,512780 +1.1737,459609 +1.17947,441545 +1.18525,514621 +1.19102,706975 +1.1968,1045699 +1.20257,1402096 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b/tests/test_readers/data/agilent_csv/RAU-R505-11.D/AcqData-CumulativeAuditTrail.xml new file mode 100644 index 0000000..df1a054 --- /dev/null +++ b/tests/test_readers/data/agilent_csv/RAU-R505-11.D/AcqData-CumulativeAuditTrail.xml @@ -0,0 +1,17 @@ + + + + 0 + WS-CZC83174R0 + system + 2024-06-06T18:24:15.2964311+02:00 + Data collection has been initiated. + + + 1 + WS-CZC83174R0 + system + 2024-06-06T18:45:49.9170272+02:00 + Data has been collected and saved. + + \ No newline at end of file diff --git a/tests/test_readers/data/agilent_csv/RAU-R505-11.D/AcqData/Contents.xml b/tests/test_readers/data/agilent_csv/RAU-R505-11.D/AcqData/Contents.xml new file mode 100644 index 0000000..b35fc98 --- /dev/null +++ b/tests/test_readers/data/agilent_csv/RAU-R505-11.D/AcqData/Contents.xml @@ -0,0 +1,17 @@ + + + 3 + + + 2024-06-06T18:33:06.3596207+02:00 + + 2 + 5977B MSD + + 0 + + 2 + + 2 + MassHunter GC/MS Acquisition B.07.06.2704 18-Jul-2017 Copyright © 1989-2017 Agilent Technologies, Inc. + \ No newline at end of file diff --git a/tests/test_readers/data/agilent_csv/RAU-R505-11.D/AcqData/Devices.xml b/tests/test_readers/data/agilent_csv/RAU-R505-11.D/AcqData/Devices.xml new file mode 100644 index 0000000..0b92837 --- /dev/null +++ b/tests/test_readers/data/agilent_csv/RAU-R505-11.D/AcqData/Devices.xml @@ -0,0 +1,16 @@ + + + 1 + + SingleQuadrupole + 7.6.0.0 + 6.00.34 + 5977 + 1 + US1827R022 + 2 + 8 + 0 + 1 + + \ No newline at end of file diff --git a/tests/test_readers/data/agilent_csv/RAU-R505-11.D/AcqData/Janis12min,1minsolventdelay.M/acq.ms b/tests/test_readers/data/agilent_csv/RAU-R505-11.D/AcqData/Janis12min,1minsolventdelay.M/acq.ms new file mode 100644 index 0000000..2fcdc23 --- /dev/null +++ b/tests/test_readers/data/agilent_csv/RAU-R505-11.D/AcqData/Janis12min,1minsolventdelay.M/acq.ms @@ -0,0 +1,146 @@ +[Signature] +ID=00000000000000000000000000000000 + +[Version] +ID=G1701CA Version: C.00.00 + +[General] +Type=6 +Inlet=0 +Start Mode=0 +Run Duration=39000 +Solvent Delay=1 +Tune File=ATUNE.U +Group Ions=1 +Acq Mode=0 +Gauges=2 +Fast Scan=0 +TID=0 +EMSaver=0 + +[Zone 1] +ID=1 +On=1 +Soft Max=200 +Set Point=150 +Type=0 + +[Zone 2] +ID=0 +On=1 +Soft Max=250 +Set Point=230 +Type=0 + +[Zone 3] +ID=-1 +On=0 +Soft Max=0 +Set Point=0 +Type=0 + +[Ions 1] +Group Name=OFN-272-LR +Start Time=4.2 +Resolution=1 +Plot Index 1=0 +Number of Ions=1 +Ion 1=272.00,50 +Group EMV Setting=10 +Use Group EMV Setting=true +IonL1= + +[Scan 1] +Start Time=1 +Low Mass=45 +High Mass=550 +Threshold=150 +Sampling=4 +Low Plot 1= +Low Plot 2= +High Plot 1= +High Plot 2= + +[Scan 2] + +[Scan 3] + +[Filters] +Mass Type=0 +Mass Param=0 +Mass Sigma=0 +Time Type=0 +Time Param=0 +Time Sigma=0 + +[Plot] +Plot Type 1=0 +Time Plot 1=0 +Min Plot 1=0 +Max Plot 1=0 +Left Plot 1=0.000000 +Top Plot 1=0.085653 +Width Plot 1=0.520196 +Height Plot 1=0.625268 +Mode Plot 1=2 +Plot Type 2=2 +Time Plot 2=0 +Min Plot 2=0 +Max Plot 2=0 +Left Plot 2=0.198286 +Top Plot 2=0.197002 +Width Plot 2=0.499388 +Height Plot 2=0.501071 +Mode Plot 2=2 +X Gadget Pos 1=5 +Y Gadget Pos 1=230 +X Gadget Pos 2=130 +Y Gadget Pos 2=230 +Low Mass 1=1.6 +High Mass 1=1050 +Plot Label 1= +Low Mass 2=1.6 +High Mass 2=1050 +Plot Label 2= + +[Gauge1] +Type=2 +ID=1 +Display Type=0 +Left Plot=380 +Top Plot=230 +Alarm Error=100.00 +Alarm Warning=100.00 +Alarm Minimum=0.00 +Alarm Set=0 + +[Gauge2] +Type=2 +ID=0 +Display Type=0 +Left Plot=255 +Top Plot=230 +Alarm Error=100.00 +Alarm Warning=100.00 +Alarm Minimum=0.00 +Alarm Set=0 + + +[Parameters] +ID 1=7 +Mode 1=2 +Value 1=1.000000 +ID 2=-1 +Mode 2=0 +Value 2=0.000000 +[Time Events] +Number Events=0 +[SCIS] +H2FlowRate=0.13 +Emission=10 +SourceTemperature=230 +QuadrupoleTemperature=150 +Duration=1.3 +StabilizationDuration=0.166666666666667 +Filament=2 +Mode=None diff --git a/tests/test_readers/data/agilent_csv/RAU-R505-11.D/AcqData/MSPeak.bin b/tests/test_readers/data/agilent_csv/RAU-R505-11.D/AcqData/MSPeak.bin new file mode 100644 index 0000000..77fa26e Binary files /dev/null and b/tests/test_readers/data/agilent_csv/RAU-R505-11.D/AcqData/MSPeak.bin differ diff --git a/tests/test_readers/data/agilent_csv/RAU-R505-11.D/AcqData/MSScan.bin b/tests/test_readers/data/agilent_csv/RAU-R505-11.D/AcqData/MSScan.bin new file mode 100644 index 0000000..6ffbc76 Binary files /dev/null and b/tests/test_readers/data/agilent_csv/RAU-R505-11.D/AcqData/MSScan.bin differ diff --git a/tests/test_readers/data/agilent_csv/RAU-R505-11.D/AcqData/MSScan.xsd b/tests/test_readers/data/agilent_csv/RAU-R505-11.D/AcqData/MSScan.xsd new file mode 100644 index 0000000..5157805 --- /dev/null +++ b/tests/test_readers/data/agilent_csv/RAU-R505-11.D/AcqData/MSScan.xsd @@ -0,0 +1,92 @@ + + + + + + + + MSScan binary file index record details + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + diff --git a/tests/test_readers/data/agilent_csv/RAU-R505-11.D/AcqData/MSTS.xml b/tests/test_readers/data/agilent_csv/RAU-R505-11.D/AcqData/MSTS.xml new file mode 100644 index 0000000..3de75d5 --- /dev/null +++ b/tests/test_readers/data/agilent_csv/RAU-R505-11.D/AcqData/MSTS.xml @@ -0,0 +1,14 @@ + + + 3 + + + 0 + + 650 + 2012 + + 0 + + 0 + \ No newline at end of file diff --git a/tests/test_readers/data/agilent_csv/RAU-R505-11.D/AcqData/sample_info.xml b/tests/test_readers/data/agilent_csv/RAU-R505-11.D/AcqData/sample_info.xml new file mode 100644 index 0000000..b6dbd91 --- /dev/null +++ b/tests/test_readers/data/agilent_csv/RAU-R505-11.D/AcqData/sample_info.xml @@ -0,0 +1,264 @@ + + 1.0 + + Dilution + Dilution + 1 + 8 + + + + + Inj Vol (µl) + Inj Vol (µl) + 1 + 8 + + + + + Wt/Vol + Wt/Vol + 0 + 8 + + + + + Sample ID + Sample ID + + + 8 + + + + + Sample Name + Sample Name + RAU-R505-11 + 8 + + + + + Sample Position + Sample Position + 12 + 8 + + + + + Sample Type + Sample Type + + + 8 + + + + + Data File + Data File + D:\MassHunter\GCMS\1\data\Elizabeth\B06\24.06.06\RAU-R505-11.D + 8 + + + + + Method + Method + D:\MassHunter\GCMS\1\methods\Janis12min,1minsolventdelay.M + 8 + + + + + Override DA Method + Override DA Method + + + 8 + + + + + Level Name + Level Name + + + 8 + + + + + Comment + Comment + + + 8 + + + + + Balance Override + Balance Override + + + 8 + + + + + Barcode + Barcode + + + 8 + + + + + Equilib Time (min) + Equilib Time (min) + 0 + 8 + + + + + Plate Code + Plate Code + + + 8 + + + + + Plate Position + Plate Position + + + 8 + + + + + Rack Code + Rack Code + + + 8 + + + + + Rack Position + Rack Position + + + 8 + + + + + 1449463935 + Expected Barcode + + + 8 + + + + + 21060505001 + Sample Amount + + + 8 + + + + + 359100500 + Dual Inj Vol + 1 + 8 + + + + + 434729380 + TuneName + ATUNE.U + 8 + + + + + 5271296782 + TunePath + D:\MassHunter\GCMS\1\5977\ + 8 + + + + + 61265915862 + TuneDateStamp + 2023-11-20T11:52:13+01:00 + 8 + + + + + 71272014747 + MSFirmwareVersion + 6.00.34 + 8 + + + + + OperatorName + OperatorName + Iris + 8 + + + + + AcqTime + AcqTime + 2024-06-06T18:33:06.3596207+02:00 + 8 + + + + + SampleLockedRunMode + SampleLockedRunMode + False + 8 + + + + + RunCompletedFlag + RunCompletedFlag + True + 8 + + + + + InstrumentName + InstrumentName + 5977B MSD + 8 + + + + \ No newline at end of file diff --git a/tests/test_readers/data/agilent_csv/RAU-R505-11.D/AcqData/sequence.xml b/tests/test_readers/data/agilent_csv/RAU-R505-11.D/AcqData/sequence.xml new file mode 100644 index 0000000..f5f7c5f --- /dev/null +++ b/tests/test_readers/data/agilent_csv/RAU-R505-11.D/AcqData/sequence.xml @@ -0,0 +1,57 @@ + + + 0 + 0 + Janis12min,1minsolventdelay + D:\MassHunter\GCMS\1\methods\ + + false + + + + RAU-R505-11 + D:\MassHunter\GCMS\1\data\Elizabeth\B06\24.06.06\ + 1 + false + + 12 + 0 + 0 + + 1 + 1 + 5977B MSD + SingleQuadrupole + + + + + false + + 2 + + + + RAU-R505-11 + dummy + + + Sample + + None + None + None + None + + + + + + + + + + + 12 + + \ No newline at end of file diff --git a/tests/test_readers/data/agilent_csv/RAU-R505-11.D/GC.ini b/tests/test_readers/data/agilent_csv/RAU-R505-11.D/GC.ini new file mode 100644 index 0000000..89735ab --- /dev/null +++ b/tests/test_readers/data/agilent_csv/RAU-R505-11.D/GC.ini @@ -0,0 +1,284 @@ +[7890 DriverItem] +gc.fw=B.02.05.1 +gc.sn=CN18333156 +gc.ready=3 +gc.status=1 +ALS.fr.present=1 +ALS.fr.syringe=10 +ALS.fr.volume=1 +ALS.bk.present=0 +ALS.bk.syringe=-1.79769313486232E+308 +ALS.bk.volume=-1.79769313486232E+308 +ALS.tray.present=1 +ALS.bcr.present=0 +gc.runlength=12.7142857142857 +gc.runtime=12.71366353333 +gc.postrun=0 +gc.posttime=-1.79769313486232E+308 +gc.pressureunits=1 +Oven.T.state=1 +Oven.T.actual=261.8047484 +Oven.T.setpoint=30 +oven.T.ramp=30,30,4,35,300,1 +inlet.fr.T.state=1 +inlet.fr.T.actual=250.0457725 +inlet.fr.T.setpoint=250 +inlet.fr.column=1 +inlet.bk.T.state=-1.79769313486232E+308 +inlet.bk.T.actual=-1.79769313486232E+308 +inlet.bk.T.setpoint=-1.79769313486232E+308 +inlet.bk.column=-1.79769313486232E+308 +inlet.fr.gas=He +inlet.fr.p.actual=2384434 +inlet.fr.f.actual=23.11919473 +inlet.fr.mode=SPLIT +inlet.fr.splitratio=50 +inlet.bk.gas=!HW Item is not supported +inlet.bk.p.actual=-1.79769313486232E+308 +inlet.bk.f.actual=-1.79769313486232E+308 +inlet.bk.mode=!HW Item is not supported +inlet.bk.splitratio=-1.79769313486232E+308 +Column.1.F.actual=0.9873646126 +Column.2.F.actual=1.504491145 +Column.3.F.actual=0 +Column.4.F.actual=0 +Column.5.F.actual=0 +Column.6.F.actual=0 +column.1.L=30 +column.1.D=0.00025 +column.1.t=2.5E-07 +column.1.max=325 +column.1.name=Agilent 19091S-433 +column.1.type=HP-5MS 5% Phenyl Methyl Silox +column.2.L=0.4 +column.2.D=0.0001 +column.2.t=0 +column.2.max=350 +column.2.name= +column.3.L=25 +column.3.D=0.00032 +column.3.t=0 +column.3.max=450 +column.3.name= +column.4.L=25 +column.4.D=0.00032 +column.4.t=0 +column.4.max=450 +column.4.name= +column.5.L=25 +column.5.D=0.00032 +column.5.t=0 +column.5.max=450 +column.5.name= +column.6.L=25 +column.6.D=0.00032 +column.6.t=0 +column.6.max=450 +column.6.name= +Column.1.description.Present=true +Column.1.description.NominalLength=30 +Column.1.description.NominalDiameter=0.00025 +Column.1.description.FilmThickness=2.5E-07 +Column.1.description.InletConnection=FRONT_INLET +Column.1.description.OutletConnection=AUX_PRESSURE_3 +Column.1.description.CalculatedLength=30 +Column.1.description.CalculatedDiameter=0.00025 +Column.1.description.CalibrationMode=UNCALIBRATED +Column.1.description.CalibrationDateTime=2000-01-02T00:00:00 +Column.1.description.ColumnMaxTemp=325 +Column.1.description.Name=Agilent 19091S-433 +Column.1.description.Type=HP-5MS 5% Phenyl Methyl Silox +Column.1.description.SerialNumber=93.92873 +Column.2.description.Present=true +Column.2.description.NominalLength=0.4 +Column.2.description.NominalDiameter=0.0001 +Column.2.description.FilmThickness=0 +Column.2.description.InletConnection=AUX_PRESSURE_3 +Column.2.description.OutletConnection=VACUUM +Column.2.description.CalculatedLength=0.4 +Column.2.description.CalculatedDiameter=0.0001 +Column.2.description.CalibrationMode=UNCALIBRATED +Column.2.description.CalibrationDateTime=2000-01-02T00:00:00 +Column.2.description.ColumnMaxTemp=350 +Column.2.description.Name= +Column.2.description.Type="" +Column.2.description.SerialNumber="" +Column.3.description.Present=true +Column.3.description.NominalLength=25 +Column.3.description.NominalDiameter=0.00032 +Column.3.description.FilmThickness=0 +Column.3.description.InletConnection=NONE +Column.3.description.OutletConnection=NONE +Column.3.description.CalculatedLength=25 +Column.3.description.CalculatedDiameter=0.00032 +Column.3.description.CalibrationMode=UNCALIBRATED +Column.3.description.CalibrationDateTime=2000-01-02T00:00:00 +Column.3.description.ColumnMaxTemp=450 +Column.3.description.Name= +Column.3.description.Type="" +Column.3.description.SerialNumber="" +Column.4.description.Present=true +Column.4.description.NominalLength=25 +Column.4.description.NominalDiameter=0.00032 +Column.4.description.FilmThickness=0 +Column.4.description.InletConnection=NONE +Column.4.description.OutletConnection=NONE +Column.4.description.CalculatedLength=25 +Column.4.description.CalculatedDiameter=0.00032 +Column.4.description.CalibrationMode=UNCALIBRATED +Column.4.description.CalibrationDateTime=2000-01-02T00:00:00 +Column.4.description.ColumnMaxTemp=450 +Column.4.description.Name= +Column.4.description.Type="" +Column.4.description.SerialNumber="" +Column.5.description.Present=true +Column.5.description.NominalLength=25 +Column.5.description.NominalDiameter=0.00032 +Column.5.description.FilmThickness=0 +Column.5.description.InletConnection=NONE +Column.5.description.OutletConnection=NONE +Column.5.description.CalculatedLength=25 +Column.5.description.CalculatedDiameter=0.00032 +Column.5.description.CalibrationMode=UNCALIBRATED +Column.5.description.CalibrationDateTime=2000-01-02T00:00:00 +Column.5.description.ColumnMaxTemp=450 +Column.5.description.Name= +Column.5.description.Type="" +Column.5.description.SerialNumber="" +Column.6.description.Present=true +Column.6.description.NominalLength=25 +Column.6.description.NominalDiameter=0.00032 +Column.6.description.FilmThickness=0 +Column.6.description.InletConnection=NONE +Column.6.description.OutletConnection=NONE +Column.6.description.CalculatedLength=25 +Column.6.description.CalculatedDiameter=0.00032 +Column.6.description.CalibrationMode=UNCALIBRATED +Column.6.description.CalibrationDateTime=2000-01-02T00:00:00 +Column.6.description.ColumnMaxTemp=450 +Column.6.description.Name= +Column.6.description.Type="" +Column.6.description.SerialNumber="" +det.fr.T.state=-1.79769313486232E+308 +det.fr.T.setpoint=-1.79769313486232E+308 +det.fr.T.actual=-1.79769313486232E+308 +det.fr.Signal.actual=-1.79769313486232E+308 +det.fr.Fuel.actual=-1.79769313486232E+308 +det.fr.Utility.actual=-1.79769313486232E+308 +det.fr.makeup.actual=-1.79769313486232E+308 +det.bk.T.state=-1.79769313486232E+308 +det.bk.T.setpoint=-1.79769313486232E+308 +det.bk.T.actual=-1.79769313486232E+308 +det.bk.Signal.actual=-1.79769313486232E+308 +det.bk.Fuel.actual=-1.79769313486232E+308 +det.bk.Utility.actual=-1.79769313486232E+308 +det.bk.makeup.actual=-1.79769313486232E+308 +det.aux.T.state=-1.79769313486232E+308 +det.aux.T.setpoint=-1.79769313486232E+308 +det.aux.T.actual=-1.79769313486232E+308 +det.aux.Signal.actual=-1.79769313486232E+308 +det.aux.Fuel.actual=-1.79769313486232E+308 +det.aux.Utility.actual=-1.79769313486232E+308 +det.aux.makeup.actual=-1.79769313486232E+308 +det.4th.T.state=-1.79769313486232E+308 +det.4th.T.setpoint=-1.79769313486232E+308 +det.4th.T.actual=-1.79769313486232E+308 +det.4th.Signal.actual=-1.79769313486232E+308 +det.4th.Fuel.actual=-1.79769313486232E+308 +det.4th.Utility.actual=-1.79769313486232E+308 +det.4th.makeup.actual=-1.79769313486232E+308 +AuxH.1.T.state=-1.79769313486232E+308 +AuxH.1.T.type=-1.79769313486232E+308 +AuxH.1.T.actual=-1.79769313486232E+308 +AuxH.1.T.setpoint=-1.79769313486232E+308 +AuxH.2.T.state=1 +AuxH.2.T.type=-1.79769313486232E+308 +AuxH.2.T.actual=280.1331891 +AuxH.2.T.setpoint=280 +AuxH.3.T.state=-1.79769313486232E+308 +AuxH.3.T.type=-1.79769313486232E+308 +AuxH.3.T.actual=-1.79769313486232E+308 +AuxH.3.T.setpoint=-1.79769313486232E+308 +rtlpressure=1377294.63663279 +rtlpressure.1=1377294.63663279 +rtlpressure.2=879395.685196652 +rtlpressure.3=-1.79769313486232E+308 +rtlpressure.4=-1.79769313486232E+308 +rtlpressure.5=-1.79769313486232E+308 +rtlpressure.6=-1.79769313486232E+308 +Valve.1.state=0 +Valve.2.state=0 +Valve.3.state=0 +Valve.4.state=0 +Valve.5.state=0 +Valve.6.state=0 +Valve.7.state=0 +Valve.8.state=0 +APC.1.A.P.actual=446126 +APC.1.B.P.actual=11958 +APC.1.C.P.actual=1449571 +APC.2.A.P.actual=-1.79769313486232E+308 +APC.2.B.P.actual=-1.79769313486232E+308 +APC.2.C.P.actual=-1.79769313486232E+308 +APC.3.A.P.actual=-1.79769313486232E+308 +APC.3.B.P.actual=-1.79769313486232E+308 +APC.3.C.P.actual=-1.79769313486232E+308 +APC.1.A.P.setpoint=689475.7 +APC.1.B.P.setpoint=689475.7 +APC.1.C.P.setpoint=879395.6852 +APC.2.A.P.setpoint=-1.79769313486232E+308 +APC.2.B.P.setpoint=-1.79769313486232E+308 +APC.2.C.P.setpoint=-1.79769313486232E+308 +APC.3.A.P.setpoint=-1.79769313486232E+308 +APC.3.B.P.setpoint=-1.79769313486232E+308 +APC.3.C.P.setpoint=-1.79769313486232E+308 +APC.1.A.gas=He +APC.1.B.gas=He +APC.1.C.gas=He +APC.2.A.gas=!HW Item is not supported +APC.2.B.gas=!HW Item is not supported +APC.2.C.gas=!HW Item is not supported +APC.3.A.gas=!HW Item is not supported +APC.3.B.gas=!HW Item is not supported +APC.3.C.gas=!HW Item is not supported +pcm.1.a.P.setpoint=-1.79769313486232E+308 +pcm.1.b.P.setpoint=-1.79769313486232E+308 +pcm.2.a.P.setpoint=-1.79769313486232E+308 +pcm.2.b.P.setpoint=-1.79769313486232E+308 +pcm.3.a.P.setpoint=-1.79769313486232E+308 +pcm.3.b.P.setpoint=-1.79769313486232E+308 +pcm.1.a.P.actual=-1.79769313486232E+308 +pcm.1.b.P.actual=-1.79769313486232E+308 +pcm.2.a.P.actual=-1.79769313486232E+308 +pcm.2.b.P.actual=-1.79769313486232E+308 +pcm.3.a.P.actual=-1.79769313486232E+308 +pcm.3.b.P.actual=-1.79769313486232E+308 +pcm.1.a.F.actual=-1.79769313486232E+308 +pcm.1.b.F.actual=-1.79769313486232E+308 +pcm.2.a.F.actual=-1.79769313486232E+308 +pcm.2.b.F.actual=-1.79769313486232E+308 +pcm.3.a.F.actual=-1.79769313486232E+308 +pcm.3.b.F.actual=-1.79769313486232E+308 +pcm.1.a.gas=-1.79769313486232E+308 +pcm.1.b.gas=-1.79769313486232E+308 +pcm.2.a.gas=-1.79769313486232E+308 +pcm.2.b.gas=-1.79769313486232E+308 +pcm.3.a.gas=-1.79769313486232E+308 +pcm.3.b.gas=-1.79769313486232E+308 +AuxP.1.P.actual=446105 +AuxP.2.P.actual=11966 +AuxP.3.P.actual=1430103 +AuxP.4.P.actual=-1.79769313486232E+308 +AuxP.5.P.actual=-1.79769313486232E+308 +AuxP.6.P.actual=-1.79769313486232E+308 +AuxP.7.P.actual=-1.79769313486232E+308 +AuxP.8.P.actual=-1.79769313486232E+308 +AuxP.9.P.actual=-1.79769313486232E+308 +Parameter name: APC.3.C.gas +Parameter name: APC.3.B.gas +Parameter name: APC.3.A.gas +Parameter name: APC.2.C.gas +Parameter name: APC.2.B.gas +Parameter name: APC.2.A.gas +Parameter name: inlet.bk.mode +Parameter name: inlet.bk.gas diff --git a/tests/test_readers/data/agilent_csv/RAU-R505-11.D/PRE_POST.INI b/tests/test_readers/data/agilent_csv/RAU-R505-11.D/PRE_POST.INI new file mode 100644 index 0000000..177a148 --- /dev/null +++ b/tests/test_readers/data/agilent_csv/RAU-R505-11.D/PRE_POST.INI @@ -0,0 +1,115 @@ +[POSTRUN] +SOURCE=MS +Application=MassHunter GC/MS Acquisition B.07.06.2704 18-Jul-2017 Copyright © 1989-2017 Agilent Technologies, Inc. +Date=Thu Jun 06 18:45:52 2024 +SampleAmount=0 +Multiplier=1 +SmartCard=AGILENT TECHNOLOGIES,5977,US1827R022,6.00.34 +serial_n=US1827R022 +acqmode=0 +TuneName=ATUNE.U +TunePath=D:\MassHunter\GCMS\1\5977\ +TuneDate=20 Nov 2023 11:52 am +CImode=0 +CIpolarity=0 +SourceTemp=230 +QuadTemp=150 +Pressure=1.10E-05 +Matrix=1 +InitialAmt=1 +FinalAmt=1 +PrimaryFile=\data.ms +PrimaryType=hgfile +DataRecord=REV2:PARAFIT3 +SourceConf=101 +Observedm1=68.9963994372028 +Observedm2=218.954766989366 +Observedm3=502.003028423966 +Instrument Name=5977B MSD +controller=Top Sequence +timestamp=MS ChemStation +[Scan Parameters] +scanstart1=1 +lowmass1=45 +highmass1=550 +[TuneValues] +massgain=53 +massoffset=-26 +amugain=2335 +amuoffset=134.25 +dcpolarity=0 +emission=34.592541048648 +electron=70.0073246658121 +emvolts=1180.00366233291 +ACTUAL_EMVOLTS=1164.1 +GAIN FACTOR= 1.00 +entrance_lens=22.6722032242306 +filament=1 +ionfocus=90.3308509339519 +repeller=19.7593791966793 +entlensoffset=14.1102429495788 +[MS_Faults] +NUM_MS_Faults=0 +[firmware] +MSSC=6.00.34 +BSP=1.2/27.16T +HTTP=0.1 +LUI=04.32A.20160325 +[Type] +Type=1 +MHAcq=1 +[Sequence] +_methpath$=D:\MassHunter\GCMS\1\methods\ +_methfile$=Janis12min,1minsolventdelay.M +SeqFileName=D:\MassHunter\GCMS\1\sequence\IrisH.sequence.xml +[HW Config] +Smartcard=SC3.3 (SC33,40.0,32M,0K,64M,0x3722) +Sideboard=5975HI_SIDEBOARD +Log Amplifier=LOG02,121,54,2,CAL,y618051086 +Vacuum Pump=TURBO_PUMP +Vacuum Guage=HIVACGAUGE +CI Flow Control=NO_FCB +HES Driver PCA=SRC_PCA_TYPE_UNK +[Factors] +Mist=20 +Scan=NORM +A/Ds=16.00 +AVG.=1 +Samp=4 +Step=0.03 +Filter=Mass:ISTD +Qual=PARAFIT3 +SimSampPer=16 +Madly=800,9 +5975NoiseReduction=1 +5975EMSaver=-1 +LagFactors=-0.0285:8e-05:0 +tbyrst=40 +mbyrst=40 +tdomain=COEF,1.000000 +mdomain=-0.005964,-0.016017,0.008343,0.108516,0.247621 +[GainCoefficients] +Squared_=16.922441816685 +Linear__=48.3105062581599 +Constant=499.506255040877 +[Injection] +Tower=0 +F. SyringeVolume=10 +F. MethodVolume=1 +F. OverrideVolume=0 +R. SyringeVolume=0 +R. MethodVolume=0 +R. OverrideVolume=0 +Maxvial-1=150 +Maxvial-2=0 +Maxvial-3=0 +method specified sample prep= +[FC_VGauge] +CI=NO_FCB +Gauge=HIVACGAUGE +Pressure=1.1E-05 +[Compliance] +_iscompliant=0 +_isRandR=0 +_isSecureFS=0 +_isSecureRemoteFS=0 diff --git a/tests/test_readers/data/agilent_csv/RAU-R505-11.D/RESULTS.CSV b/tests/test_readers/data/agilent_csv/RAU-R505-11.D/RESULTS.CSV new file mode 100644 index 0000000..77f52a8 --- /dev/null +++ b/tests/test_readers/data/agilent_csv/RAU-R505-11.D/RESULTS.CSV @@ -0,0 +1,11 @@ +[contents] +count=1 +Name=,D:\MassHunter\GCMS\1\data\Elizabeth\B06\24.06.06\RAU-R505-11.D +1=,INT TIC: RAU-R505-11.D\data.ms +[INT TIC: RAU-R505-11.D\data.ms] +Time=,Fri Jun 07 09:39:46 2024 +Header=,"Peak","R.T.","First","Max","Last","PK TY","Height","Area","Pct Max","Pct Total" +1=, 1, 6.056, 855, 860, 877," M ",1042404, 9737776, 42.68, 23.443 +2=, 2, 6.301, 898, 903, 911," M ",1119168, 8496124, 37.24, 20.454 +3=, 3, 10.155, 1568,1570,1574," M ", 57727, 489347, 2.14, 1.178 +4=, 4, 10.286, 1589,1593,1607," M ",2451028, 22814838,100.00, 54.925 diff --git a/tests/test_readers/data/agilent_csv/RAU-R505-11.D/TEMPBASE b/tests/test_readers/data/agilent_csv/RAU-R505-11.D/TEMPBASE new file mode 100644 index 0000000..e69de29 diff --git a/tests/test_readers/data/agilent_csv/RAU-R505-11.D/acqmeth.txt b/tests/test_readers/data/agilent_csv/RAU-R505-11.D/acqmeth.txt new file mode 100644 index 0000000..bbf9258 Binary files /dev/null and b/tests/test_readers/data/agilent_csv/RAU-R505-11.D/acqmeth.txt differ diff --git a/tests/test_readers/data/agilent_csv/RAU-R505-11.D/checksum.xml b/tests/test_readers/data/agilent_csv/RAU-R505-11.D/checksum.xml new file mode 100644 index 0000000..f666eb9 --- /dev/null +++ b/tests/test_readers/data/agilent_csv/RAU-R505-11.D/checksum.xml @@ -0,0 +1,7 @@ + + + +
+ 36-B5-AF-EB-2B-23-B5-95-4F-EB-5D-4D-62-02-D2-84-12-93-6C-64-C0-53-06-FD-78-3F-36-9B-27-15-0F-A1-9F-C1-E7-B2-13-5F-F0-8E-63-30-47-54-BE-3D-DE-F7-A8-46-28-46-0C-A0-E1-16-96-D8-58-C8-AE-3E-00-E3 +
+ \ No newline at end of file diff --git a/tests/test_readers/data/agilent_csv/RAU-R505-11.D/data.ms b/tests/test_readers/data/agilent_csv/RAU-R505-11.D/data.ms new file mode 100644 index 0000000..797e0d7 Binary files /dev/null and b/tests/test_readers/data/agilent_csv/RAU-R505-11.D/data.ms differ diff --git a/tests/test_readers/data/agilent_csv/RAU-R505-11.D/rteres.txt b/tests/test_readers/data/agilent_csv/RAU-R505-11.D/rteres.txt new file mode 100644 index 0000000..f6740ce --- /dev/null +++ b/tests/test_readers/data/agilent_csv/RAU-R505-11.D/rteres.txt @@ -0,0 +1,30 @@ + Area Percent Report + + Data Path : D:\MassHunter\GCMS\1\data\Elizabeth\B06\24.06.06\ + Data File : RAU-R505-11.D + Acq On : 06 Jun 2024 18:33 + Operator : Iris + Sample : RAU-R505-11 + Misc : + ALS Vial : 12 Sample Multiplier: 1 + + Integration Parameters: autoint1.e + Integrator: ChemStation + + Method : D:\MassHunter\GCMS\1\methods\Janis12min.M + Title : + + Signal : TIC: RAU-R505-11.D\data.ms + + peak R.T. first max last PK peak corr. corr. % of + # min scan scan scan TY height area % max. total + --- ----- ----- ---- ---- --- ------- ------- ------ ------- + 1 6.056 855 860 877 M 1042404 9737776 42.68% 23.443% + 2 6.301 898 903 911 M 1119168 8496124 37.24% 20.454% + 3 10.155 1568 1570 1574 M 57727 489347 2.14% 1.178% + 4 10.286 1589 1593 1607 M 2451028 22814838 100.00% 54.925% + + + Sum of corrected areas: 41538085 + +Janis12min.M Fri Jun 07 09:39:46 2024 diff --git a/tests/test_readers/data/agilent_csv/RAU-R505-11.D/runstart.txt b/tests/test_readers/data/agilent_csv/RAU-R505-11.D/runstart.txt new file mode 100644 index 0000000..c016d73 --- /dev/null +++ b/tests/test_readers/data/agilent_csv/RAU-R505-11.D/runstart.txt @@ -0,0 +1,64 @@ + Critical RunStart CP Variables + +CP Variable = Value + + Front Injector Available(_turretfrontavail) = 1 + Rear Injector Available(_turretrearavail) = 0 + Dual Injector Available(_turretdualavail) = 0 + + Injection Source(_injsource) = 1 1,2,3,4,5,6=ALS,Man,Valve,Ext.,PAL,HS,MiniTD + _injloc (_injloc) = 1 + MSD Sample(_msinlet) = 1 1,2=sample1=Front,sample2=Rear + + _ptavail : 1 _dopretreat : 0 _pretreatpath$ : D:\MassHunter\GCMS\1\PreTreat\ + _pretreatfile$ : _pretreatmeth$ : + + _Overlapped _overlap _ALSNEXT, _ALSNEXT2, _Lastlap 0 0 13 13 0 + +_overlapped: Is method currently overlapping? 0 +_overlap: Is hw capable of overlapping? 0 +_alsnext: Next vial front inlet? 13 +_lastlap: Indicator for last entry in SLT 0 + + _seqcheckbar: 0 On Mismatch, Inject Anyway + _seqcheckbarnext: 0 + Expected BCs : 2: + + Next Expected BCs : 2: + + Previous _checkbar : 0 + Previous _barmismatch: 0 + +_maxvial[] 1=150 2=0 3=0 + +Front Sample + + Alsbottle (_alsbottle) = 12 + Methfile (_methfile$) = Janis12min,1minsolventdelay.M + Datafile(,_datafile$) = RAU-R505-11.D + Sample Name (_dataname$) = RAU-R505-11 + Exp. Barcode(_expbarcode$)= + Miscellaneous (_miscinfo$) = + Vol. Override (_injvol) = 0 + Method Volume (_methvol) = 1 + SyringeVolume (_syrvol) = 10 + SyringeVolLow (_syrvollow) = 0 + Multiplier (_multiplr) = 1 + Sample Amt (_sampamt) = 0 + + +Rear Sample + + Alsbottle(_alsbottle2) = 0 + Datafile(_datafile2$) = RAU-R505-11.D + Sample Name(_dataname2$) = RAU-R505-11 + Exp. Barcode(_expbarcode2$) = + Miscellaneous(_miscinfo2$) = + Vol. Override(_injvol2) = 0 + Method Volume(_methvol2) = 0 + SyringeVolume(_syrvol2) = 0 + SyringeVolLow(_syrvollow2) = 0 + Multiplier(_multiplr2) = 1 + Sample Amt(_sampamt2) = 0 + +Thu Jun 06 18:24:14 2024 diff --git a/tests/test_readers/data/agilent_csv/RAU-R505-11.D/tic_front.csv b/tests/test_readers/data/agilent_csv/RAU-R505-11.D/tic_front.csv new file mode 100644 index 0000000..69a4e52 --- /dev/null +++ b/tests/test_readers/data/agilent_csv/RAU-R505-11.D/tic_front.csv @@ -0,0 +1,2014 @@ +D:\MassHunter\GCMS\1\data\Elizabeth\B06\24.06.06\RAU-R505-11.D 06 Jun 24 06:33 pm +Start of data points +1.09298,28245482 +1.09875,27641624 +1.10453,26717604 +1.1103,25975660 +1.11608,25467946 +1.12187,24842824 +1.12763,24281442 +1.13342,23747894 +1.13918,23361210 +1.14497,22983892 +1.15073,22868242 +1.15652,26341694 +1.16228,673283 +1.16807,540121 +1.17383,472266 +1.17962,454062 +1.18538,510724 +1.19117,685581 +1.19693,1016299 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b/tests/test_readers/data/agilent_csv/RAU-R505-12.D/AcqData-CumulativeAuditTrail.xml new file mode 100644 index 0000000..e82dff8 --- /dev/null +++ b/tests/test_readers/data/agilent_csv/RAU-R505-12.D/AcqData-CumulativeAuditTrail.xml @@ -0,0 +1,17 @@ + + + + 0 + WS-CZC83174R0 + system + 2024-06-06T18:46:09.9748037+02:00 + Data collection has been initiated. + + + 1 + WS-CZC83174R0 + system + 2024-06-06T19:07:41.798277+02:00 + Data has been collected and saved. + + \ No newline at end of file diff --git a/tests/test_readers/data/agilent_csv/RAU-R505-12.D/AcqData/Contents.xml b/tests/test_readers/data/agilent_csv/RAU-R505-12.D/AcqData/Contents.xml new file mode 100644 index 0000000..7ea8a49 --- /dev/null +++ b/tests/test_readers/data/agilent_csv/RAU-R505-12.D/AcqData/Contents.xml @@ -0,0 +1,17 @@ + + + 3 + + + 2024-06-06T18:54:59.9134899+02:00 + + 2 + 5977B MSD + + 0 + + 2 + + 2 + MassHunter GC/MS Acquisition B.07.06.2704 18-Jul-2017 Copyright © 1989-2017 Agilent Technologies, Inc. + \ No newline at end of file diff --git a/tests/test_readers/data/agilent_csv/RAU-R505-12.D/AcqData/Devices.xml b/tests/test_readers/data/agilent_csv/RAU-R505-12.D/AcqData/Devices.xml new file mode 100644 index 0000000..0b92837 --- /dev/null +++ b/tests/test_readers/data/agilent_csv/RAU-R505-12.D/AcqData/Devices.xml @@ -0,0 +1,16 @@ + + + 1 + + SingleQuadrupole + 7.6.0.0 + 6.00.34 + 5977 + 1 + US1827R022 + 2 + 8 + 0 + 1 + + \ No newline at end of file diff --git a/tests/test_readers/data/agilent_csv/RAU-R505-12.D/AcqData/Janis12min,1minsolventdelay.M/acq.ms b/tests/test_readers/data/agilent_csv/RAU-R505-12.D/AcqData/Janis12min,1minsolventdelay.M/acq.ms new file mode 100644 index 0000000..2fcdc23 --- /dev/null +++ b/tests/test_readers/data/agilent_csv/RAU-R505-12.D/AcqData/Janis12min,1minsolventdelay.M/acq.ms @@ -0,0 +1,146 @@ +[Signature] +ID=00000000000000000000000000000000 + +[Version] +ID=G1701CA Version: C.00.00 + +[General] +Type=6 +Inlet=0 +Start Mode=0 +Run Duration=39000 +Solvent Delay=1 +Tune File=ATUNE.U +Group Ions=1 +Acq Mode=0 +Gauges=2 +Fast Scan=0 +TID=0 +EMSaver=0 + +[Zone 1] +ID=1 +On=1 +Soft Max=200 +Set Point=150 +Type=0 + +[Zone 2] +ID=0 +On=1 +Soft Max=250 +Set Point=230 +Type=0 + +[Zone 3] +ID=-1 +On=0 +Soft Max=0 +Set Point=0 +Type=0 + +[Ions 1] +Group Name=OFN-272-LR +Start Time=4.2 +Resolution=1 +Plot Index 1=0 +Number of Ions=1 +Ion 1=272.00,50 +Group EMV Setting=10 +Use Group EMV Setting=true +IonL1= + +[Scan 1] +Start Time=1 +Low Mass=45 +High Mass=550 +Threshold=150 +Sampling=4 +Low Plot 1= +Low Plot 2= +High Plot 1= +High Plot 2= + +[Scan 2] + +[Scan 3] + +[Filters] +Mass Type=0 +Mass Param=0 +Mass Sigma=0 +Time Type=0 +Time Param=0 +Time Sigma=0 + +[Plot] +Plot Type 1=0 +Time Plot 1=0 +Min Plot 1=0 +Max Plot 1=0 +Left Plot 1=0.000000 +Top Plot 1=0.085653 +Width Plot 1=0.520196 +Height Plot 1=0.625268 +Mode Plot 1=2 +Plot Type 2=2 +Time Plot 2=0 +Min Plot 2=0 +Max Plot 2=0 +Left Plot 2=0.198286 +Top Plot 2=0.197002 +Width Plot 2=0.499388 +Height Plot 2=0.501071 +Mode Plot 2=2 +X Gadget Pos 1=5 +Y Gadget Pos 1=230 +X Gadget Pos 2=130 +Y Gadget Pos 2=230 +Low Mass 1=1.6 +High Mass 1=1050 +Plot Label 1= +Low Mass 2=1.6 +High Mass 2=1050 +Plot Label 2= + +[Gauge1] +Type=2 +ID=1 +Display Type=0 +Left Plot=380 +Top Plot=230 +Alarm Error=100.00 +Alarm Warning=100.00 +Alarm Minimum=0.00 +Alarm Set=0 + +[Gauge2] +Type=2 +ID=0 +Display Type=0 +Left Plot=255 +Top Plot=230 +Alarm Error=100.00 +Alarm Warning=100.00 +Alarm Minimum=0.00 +Alarm Set=0 + + +[Parameters] +ID 1=7 +Mode 1=2 +Value 1=1.000000 +ID 2=-1 +Mode 2=0 +Value 2=0.000000 +[Time Events] +Number Events=0 +[SCIS] +H2FlowRate=0.13 +Emission=10 +SourceTemperature=230 +QuadrupoleTemperature=150 +Duration=1.3 +StabilizationDuration=0.166666666666667 +Filament=2 +Mode=None diff --git a/tests/test_readers/data/agilent_csv/RAU-R505-12.D/AcqData/MSPeak.bin b/tests/test_readers/data/agilent_csv/RAU-R505-12.D/AcqData/MSPeak.bin new file mode 100644 index 0000000..1cf6ebe Binary files /dev/null and b/tests/test_readers/data/agilent_csv/RAU-R505-12.D/AcqData/MSPeak.bin differ diff --git a/tests/test_readers/data/agilent_csv/RAU-R505-12.D/AcqData/MSScan.bin b/tests/test_readers/data/agilent_csv/RAU-R505-12.D/AcqData/MSScan.bin new file mode 100644 index 0000000..a458711 Binary files /dev/null and b/tests/test_readers/data/agilent_csv/RAU-R505-12.D/AcqData/MSScan.bin differ diff --git a/tests/test_readers/data/agilent_csv/RAU-R505-12.D/AcqData/MSScan.xsd b/tests/test_readers/data/agilent_csv/RAU-R505-12.D/AcqData/MSScan.xsd new file mode 100644 index 0000000..5157805 --- /dev/null +++ b/tests/test_readers/data/agilent_csv/RAU-R505-12.D/AcqData/MSScan.xsd @@ -0,0 +1,92 @@ + + + + + + + + MSScan binary file index record details + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + diff --git a/tests/test_readers/data/agilent_csv/RAU-R505-12.D/AcqData/MSTS.xml b/tests/test_readers/data/agilent_csv/RAU-R505-12.D/AcqData/MSTS.xml new file mode 100644 index 0000000..3de75d5 --- /dev/null +++ b/tests/test_readers/data/agilent_csv/RAU-R505-12.D/AcqData/MSTS.xml @@ -0,0 +1,14 @@ + + + 3 + + + 0 + + 650 + 2012 + + 0 + + 0 + \ No newline at end of file diff --git a/tests/test_readers/data/agilent_csv/RAU-R505-12.D/AcqData/sample_info.xml b/tests/test_readers/data/agilent_csv/RAU-R505-12.D/AcqData/sample_info.xml new file mode 100644 index 0000000..f259e73 --- /dev/null +++ b/tests/test_readers/data/agilent_csv/RAU-R505-12.D/AcqData/sample_info.xml @@ -0,0 +1,264 @@ + + 1.0 + + Dilution + Dilution + 1 + 8 + + + + + Inj Vol (µl) + Inj Vol (µl) + 1 + 8 + + + + + Wt/Vol + Wt/Vol + 0 + 8 + + + + + Sample ID + Sample ID + + + 8 + + + + + Sample Name + Sample Name + RAU-R505-12 + 8 + + + + + Sample Position + Sample Position + 13 + 8 + + + + + Sample Type + Sample Type + + + 8 + + + + + Data File + Data File + D:\MassHunter\GCMS\1\data\Elizabeth\B06\24.06.06\RAU-R505-12.D + 8 + + + + + Method + Method + D:\MassHunter\GCMS\1\methods\Janis12min,1minsolventdelay.M + 8 + + + + + Override DA Method + Override DA Method + + + 8 + + + + + Level Name + Level Name + + + 8 + + + + + Comment + Comment + + + 8 + + + + + Balance Override + Balance Override + + + 8 + + + + + Barcode + Barcode + + + 8 + + + + + Equilib Time (min) + Equilib Time (min) + 0 + 8 + + + + + Plate Code + Plate Code + + + 8 + + + + + Plate Position + Plate Position + + + 8 + + + + + Rack Code + Rack Code + + + 8 + + + + + Rack Position + Rack Position + + + 8 + + + + + 12100954813 + Expected Barcode + + + 8 + + + + + 2291928384 + Sample Amount + + + 8 + + + + + 3970142523 + Dual Inj Vol + 1 + 8 + + + + + 41422181171 + TuneName + ATUNE.U + 8 + + + + + 51200631109 + TunePath + D:\MassHunter\GCMS\1\5977\ + 8 + + + + + 61450114331 + TuneDateStamp + 2023-11-20T11:52:13+01:00 + 8 + + + + + 71949722906 + MSFirmwareVersion + 6.00.34 + 8 + + + + + OperatorName + OperatorName + Iris + 8 + + + + + AcqTime + AcqTime + 2024-06-06T18:54:59.9134899+02:00 + 8 + + + + + SampleLockedRunMode + SampleLockedRunMode + False + 8 + + + + + RunCompletedFlag + RunCompletedFlag + True + 8 + + + + + InstrumentName + InstrumentName + 5977B MSD + 8 + + + + \ No newline at end of file diff --git a/tests/test_readers/data/agilent_csv/RAU-R505-12.D/AcqData/sequence.xml b/tests/test_readers/data/agilent_csv/RAU-R505-12.D/AcqData/sequence.xml new file mode 100644 index 0000000..c0bb3f3 --- /dev/null +++ b/tests/test_readers/data/agilent_csv/RAU-R505-12.D/AcqData/sequence.xml @@ -0,0 +1,57 @@ + + + 0 + 0 + Janis12min,1minsolventdelay + D:\MassHunter\GCMS\1\methods\ + + false + + + + RAU-R505-12 + D:\MassHunter\GCMS\1\data\Elizabeth\B06\24.06.06\ + 1 + false + + 13 + 0 + 0 + + 1 + 1 + 5977B MSD + SingleQuadrupole + + + + + false + + 2 + + + + RAU-R505-12 + dummy + + + Sample + + None + None + None + None + + + + + + + + + + + 13 + + \ No newline at end of file diff --git a/tests/test_readers/data/agilent_csv/RAU-R505-12.D/GC.ini b/tests/test_readers/data/agilent_csv/RAU-R505-12.D/GC.ini new file mode 100644 index 0000000..757f3eb --- /dev/null +++ b/tests/test_readers/data/agilent_csv/RAU-R505-12.D/GC.ini @@ -0,0 +1,284 @@ +[7890 DriverItem] +gc.fw=B.02.05.1 +gc.sn=CN18333156 +gc.ready=3 +gc.status=1 +ALS.fr.present=1 +ALS.fr.syringe=10 +ALS.fr.volume=1 +ALS.bk.present=0 +ALS.bk.syringe=-1.79769313486232E+308 +ALS.bk.volume=-1.79769313486232E+308 +ALS.tray.present=1 +ALS.bcr.present=0 +gc.runlength=12.7142857142857 +gc.runtime=12.713654149964 +gc.postrun=0 +gc.posttime=-1.79769313486232E+308 +gc.pressureunits=1 +Oven.T.state=1 +Oven.T.actual=262.5200199 +Oven.T.setpoint=30 +oven.T.ramp=30,30,4,35,300,1 +inlet.fr.T.state=1 +inlet.fr.T.actual=250.0442865 +inlet.fr.T.setpoint=250 +inlet.fr.column=1 +inlet.bk.T.state=-1.79769313486232E+308 +inlet.bk.T.actual=-1.79769313486232E+308 +inlet.bk.T.setpoint=-1.79769313486232E+308 +inlet.bk.column=-1.79769313486232E+308 +inlet.fr.gas=He +inlet.fr.p.actual=2537338 +inlet.fr.f.actual=0.002304062432 +inlet.fr.mode=SPLIT +inlet.fr.splitratio=50 +inlet.bk.gas=!HW Item is not supported +inlet.bk.p.actual=-1.79769313486232E+308 +inlet.bk.f.actual=-1.79769313486232E+308 +inlet.bk.mode=!HW Item is not supported +inlet.bk.splitratio=-1.79769313486232E+308 +Column.1.F.actual=0.9828494703 +Column.2.F.actual=1.505127467 +Column.3.F.actual=0 +Column.4.F.actual=0 +Column.5.F.actual=0 +Column.6.F.actual=0 +column.1.L=30 +column.1.D=0.00025 +column.1.t=2.5E-07 +column.1.max=325 +column.1.name=Agilent 19091S-433 +column.1.type=HP-5MS 5% Phenyl Methyl Silox +column.2.L=0.4 +column.2.D=0.0001 +column.2.t=0 +column.2.max=350 +column.2.name= +column.3.L=25 +column.3.D=0.00032 +column.3.t=0 +column.3.max=450 +column.3.name= +column.4.L=25 +column.4.D=0.00032 +column.4.t=0 +column.4.max=450 +column.4.name= +column.5.L=25 +column.5.D=0.00032 +column.5.t=0 +column.5.max=450 +column.5.name= +column.6.L=25 +column.6.D=0.00032 +column.6.t=0 +column.6.max=450 +column.6.name= +Column.1.description.Present=true +Column.1.description.NominalLength=30 +Column.1.description.NominalDiameter=0.00025 +Column.1.description.FilmThickness=2.5E-07 +Column.1.description.InletConnection=FRONT_INLET +Column.1.description.OutletConnection=AUX_PRESSURE_3 +Column.1.description.CalculatedLength=30 +Column.1.description.CalculatedDiameter=0.00025 +Column.1.description.CalibrationMode=UNCALIBRATED +Column.1.description.CalibrationDateTime=2000-01-02T00:00:00 +Column.1.description.ColumnMaxTemp=325 +Column.1.description.Name=Agilent 19091S-433 +Column.1.description.Type=HP-5MS 5% Phenyl Methyl Silox +Column.1.description.SerialNumber=93.92873 +Column.2.description.Present=true +Column.2.description.NominalLength=0.4 +Column.2.description.NominalDiameter=0.0001 +Column.2.description.FilmThickness=0 +Column.2.description.InletConnection=AUX_PRESSURE_3 +Column.2.description.OutletConnection=VACUUM +Column.2.description.CalculatedLength=0.4 +Column.2.description.CalculatedDiameter=0.0001 +Column.2.description.CalibrationMode=UNCALIBRATED +Column.2.description.CalibrationDateTime=2000-01-02T00:00:00 +Column.2.description.ColumnMaxTemp=350 +Column.2.description.Name= +Column.2.description.Type="" +Column.2.description.SerialNumber="" +Column.3.description.Present=true +Column.3.description.NominalLength=25 +Column.3.description.NominalDiameter=0.00032 +Column.3.description.FilmThickness=0 +Column.3.description.InletConnection=NONE +Column.3.description.OutletConnection=NONE +Column.3.description.CalculatedLength=25 +Column.3.description.CalculatedDiameter=0.00032 +Column.3.description.CalibrationMode=UNCALIBRATED +Column.3.description.CalibrationDateTime=2000-01-02T00:00:00 +Column.3.description.ColumnMaxTemp=450 +Column.3.description.Name= +Column.3.description.Type="" +Column.3.description.SerialNumber="" +Column.4.description.Present=true +Column.4.description.NominalLength=25 +Column.4.description.NominalDiameter=0.00032 +Column.4.description.FilmThickness=0 +Column.4.description.InletConnection=NONE +Column.4.description.OutletConnection=NONE +Column.4.description.CalculatedLength=25 +Column.4.description.CalculatedDiameter=0.00032 +Column.4.description.CalibrationMode=UNCALIBRATED +Column.4.description.CalibrationDateTime=2000-01-02T00:00:00 +Column.4.description.ColumnMaxTemp=450 +Column.4.description.Name= +Column.4.description.Type="" +Column.4.description.SerialNumber="" +Column.5.description.Present=true +Column.5.description.NominalLength=25 +Column.5.description.NominalDiameter=0.00032 +Column.5.description.FilmThickness=0 +Column.5.description.InletConnection=NONE +Column.5.description.OutletConnection=NONE +Column.5.description.CalculatedLength=25 +Column.5.description.CalculatedDiameter=0.00032 +Column.5.description.CalibrationMode=UNCALIBRATED +Column.5.description.CalibrationDateTime=2000-01-02T00:00:00 +Column.5.description.ColumnMaxTemp=450 +Column.5.description.Name= +Column.5.description.Type="" +Column.5.description.SerialNumber="" +Column.6.description.Present=true +Column.6.description.NominalLength=25 +Column.6.description.NominalDiameter=0.00032 +Column.6.description.FilmThickness=0 +Column.6.description.InletConnection=NONE +Column.6.description.OutletConnection=NONE +Column.6.description.CalculatedLength=25 +Column.6.description.CalculatedDiameter=0.00032 +Column.6.description.CalibrationMode=UNCALIBRATED +Column.6.description.CalibrationDateTime=2000-01-02T00:00:00 +Column.6.description.ColumnMaxTemp=450 +Column.6.description.Name= +Column.6.description.Type="" +Column.6.description.SerialNumber="" +det.fr.T.state=-1.79769313486232E+308 +det.fr.T.setpoint=-1.79769313486232E+308 +det.fr.T.actual=-1.79769313486232E+308 +det.fr.Signal.actual=-1.79769313486232E+308 +det.fr.Fuel.actual=-1.79769313486232E+308 +det.fr.Utility.actual=-1.79769313486232E+308 +det.fr.makeup.actual=-1.79769313486232E+308 +det.bk.T.state=-1.79769313486232E+308 +det.bk.T.setpoint=-1.79769313486232E+308 +det.bk.T.actual=-1.79769313486232E+308 +det.bk.Signal.actual=-1.79769313486232E+308 +det.bk.Fuel.actual=-1.79769313486232E+308 +det.bk.Utility.actual=-1.79769313486232E+308 +det.bk.makeup.actual=-1.79769313486232E+308 +det.aux.T.state=-1.79769313486232E+308 +det.aux.T.setpoint=-1.79769313486232E+308 +det.aux.T.actual=-1.79769313486232E+308 +det.aux.Signal.actual=-1.79769313486232E+308 +det.aux.Fuel.actual=-1.79769313486232E+308 +det.aux.Utility.actual=-1.79769313486232E+308 +det.aux.makeup.actual=-1.79769313486232E+308 +det.4th.T.state=-1.79769313486232E+308 +det.4th.T.setpoint=-1.79769313486232E+308 +det.4th.T.actual=-1.79769313486232E+308 +det.4th.Signal.actual=-1.79769313486232E+308 +det.4th.Fuel.actual=-1.79769313486232E+308 +det.4th.Utility.actual=-1.79769313486232E+308 +det.4th.makeup.actual=-1.79769313486232E+308 +AuxH.1.T.state=-1.79769313486232E+308 +AuxH.1.T.type=-1.79769313486232E+308 +AuxH.1.T.actual=-1.79769313486232E+308 +AuxH.1.T.setpoint=-1.79769313486232E+308 +AuxH.2.T.state=1 +AuxH.2.T.type=-1.79769313486232E+308 +AuxH.2.T.actual=280.0382393 +AuxH.2.T.setpoint=280 +AuxH.3.T.state=-1.79769313486232E+308 +AuxH.3.T.type=-1.79769313486232E+308 +AuxH.3.T.actual=-1.79769313486232E+308 +AuxH.3.T.setpoint=-1.79769313486232E+308 +rtlpressure=1377294.63663279 +rtlpressure.1=1377294.63663279 +rtlpressure.2=879395.685196652 +rtlpressure.3=-1.79769313486232E+308 +rtlpressure.4=-1.79769313486232E+308 +rtlpressure.5=-1.79769313486232E+308 +rtlpressure.6=-1.79769313486232E+308 +Valve.1.state=0 +Valve.2.state=0 +Valve.3.state=0 +Valve.4.state=0 +Valve.5.state=0 +Valve.6.state=0 +Valve.7.state=0 +Valve.8.state=0 +APC.1.A.P.actual=445799 +APC.1.B.P.actual=11790 +APC.1.C.P.actual=1450884 +APC.2.A.P.actual=-1.79769313486232E+308 +APC.2.B.P.actual=-1.79769313486232E+308 +APC.2.C.P.actual=-1.79769313486232E+308 +APC.3.A.P.actual=-1.79769313486232E+308 +APC.3.B.P.actual=-1.79769313486232E+308 +APC.3.C.P.actual=-1.79769313486232E+308 +APC.1.A.P.setpoint=689475.7 +APC.1.B.P.setpoint=689475.7 +APC.1.C.P.setpoint=879395.6852 +APC.2.A.P.setpoint=-1.79769313486232E+308 +APC.2.B.P.setpoint=-1.79769313486232E+308 +APC.2.C.P.setpoint=-1.79769313486232E+308 +APC.3.A.P.setpoint=-1.79769313486232E+308 +APC.3.B.P.setpoint=-1.79769313486232E+308 +APC.3.C.P.setpoint=-1.79769313486232E+308 +APC.1.A.gas=He +APC.1.B.gas=He +APC.1.C.gas=He +APC.2.A.gas=!HW Item is not supported +APC.2.B.gas=!HW Item is not supported +APC.2.C.gas=!HW Item is not supported +APC.3.A.gas=!HW Item is not supported +APC.3.B.gas=!HW Item is not supported +APC.3.C.gas=!HW Item is not supported +pcm.1.a.P.setpoint=-1.79769313486232E+308 +pcm.1.b.P.setpoint=-1.79769313486232E+308 +pcm.2.a.P.setpoint=-1.79769313486232E+308 +pcm.2.b.P.setpoint=-1.79769313486232E+308 +pcm.3.a.P.setpoint=-1.79769313486232E+308 +pcm.3.b.P.setpoint=-1.79769313486232E+308 +pcm.1.a.P.actual=-1.79769313486232E+308 +pcm.1.b.P.actual=-1.79769313486232E+308 +pcm.2.a.P.actual=-1.79769313486232E+308 +pcm.2.b.P.actual=-1.79769313486232E+308 +pcm.3.a.P.actual=-1.79769313486232E+308 +pcm.3.b.P.actual=-1.79769313486232E+308 +pcm.1.a.F.actual=-1.79769313486232E+308 +pcm.1.b.F.actual=-1.79769313486232E+308 +pcm.2.a.F.actual=-1.79769313486232E+308 +pcm.2.b.F.actual=-1.79769313486232E+308 +pcm.3.a.F.actual=-1.79769313486232E+308 +pcm.3.b.F.actual=-1.79769313486232E+308 +pcm.1.a.gas=-1.79769313486232E+308 +pcm.1.b.gas=-1.79769313486232E+308 +pcm.2.a.gas=-1.79769313486232E+308 +pcm.2.b.gas=-1.79769313486232E+308 +pcm.3.a.gas=-1.79769313486232E+308 +pcm.3.b.gas=-1.79769313486232E+308 +AuxP.1.P.actual=445782 +AuxP.2.P.actual=11804 +AuxP.3.P.actual=1431637 +AuxP.4.P.actual=-1.79769313486232E+308 +AuxP.5.P.actual=-1.79769313486232E+308 +AuxP.6.P.actual=-1.79769313486232E+308 +AuxP.7.P.actual=-1.79769313486232E+308 +AuxP.8.P.actual=-1.79769313486232E+308 +AuxP.9.P.actual=-1.79769313486232E+308 +Parameter name: APC.3.C.gas +Parameter name: APC.3.B.gas +Parameter name: APC.3.A.gas +Parameter name: APC.2.C.gas +Parameter name: APC.2.B.gas +Parameter name: APC.2.A.gas +Parameter name: inlet.bk.mode +Parameter name: inlet.bk.gas diff --git a/tests/test_readers/data/agilent_csv/RAU-R505-12.D/PRE_POST.INI b/tests/test_readers/data/agilent_csv/RAU-R505-12.D/PRE_POST.INI new file mode 100644 index 0000000..eb4e67e --- /dev/null +++ b/tests/test_readers/data/agilent_csv/RAU-R505-12.D/PRE_POST.INI @@ -0,0 +1,115 @@ +[POSTRUN] +SOURCE=MS +Application=MassHunter GC/MS Acquisition B.07.06.2704 18-Jul-2017 Copyright © 1989-2017 Agilent Technologies, Inc. +Date=Thu Jun 06 19:07:44 2024 +SampleAmount=0 +Multiplier=1 +SmartCard=AGILENT TECHNOLOGIES,5977,US1827R022,6.00.34 +serial_n=US1827R022 +acqmode=0 +TuneName=ATUNE.U +TunePath=D:\MassHunter\GCMS\1\5977\ +TuneDate=20 Nov 2023 11:52 am +CImode=0 +CIpolarity=0 +SourceTemp=230 +QuadTemp=150 +Pressure=1.10E-05 +Matrix=1 +InitialAmt=1 +FinalAmt=1 +PrimaryFile=\data.ms +PrimaryType=hgfile +DataRecord=REV2:PARAFIT3 +SourceConf=101 +Observedm1=68.9963994372028 +Observedm2=218.954766989366 +Observedm3=502.003028423966 +Instrument Name=5977B MSD +controller=Top Sequence +timestamp=MS ChemStation +[Scan Parameters] +scanstart1=1 +lowmass1=45 +highmass1=550 +[TuneValues] +massgain=53 +massoffset=-26 +amugain=2335 +amuoffset=134.25 +dcpolarity=0 +emission=34.592541048648 +electron=70.0073246658121 +emvolts=1180.00366233291 +ACTUAL_EMVOLTS=1164.1 +GAIN FACTOR= 1.00 +entrance_lens=22.6722032242306 +filament=1 +ionfocus=90.3308509339519 +repeller=19.7593791966793 +entlensoffset=14.1102429495788 +[MS_Faults] +NUM_MS_Faults=0 +[firmware] +MSSC=6.00.34 +BSP=1.2/27.16T +HTTP=0.1 +LUI=04.32A.20160325 +[Type] +Type=1 +MHAcq=1 +[Sequence] +_methpath$=D:\MassHunter\GCMS\1\methods\ +_methfile$=Janis12min,1minsolventdelay.M +SeqFileName=D:\MassHunter\GCMS\1\sequence\IrisH.sequence.xml +[HW Config] +Smartcard=SC3.3 (SC33,40.0,32M,0K,64M,0x3722) +Sideboard=5975HI_SIDEBOARD +Log Amplifier=LOG02,121,54,2,CAL,y618051086 +Vacuum Pump=TURBO_PUMP +Vacuum Guage=HIVACGAUGE +CI Flow Control=NO_FCB +HES Driver PCA=SRC_PCA_TYPE_UNK +[Factors] +Mist=20 +Scan=NORM +A/Ds=16.00 +AVG.=1 +Samp=4 +Step=0.03 +Filter=Mass:ISTD +Qual=PARAFIT3 +SimSampPer=16 +Madly=800,9 +5975NoiseReduction=1 +5975EMSaver=-1 +LagFactors=-0.0285:8e-05:0 +tbyrst=40 +mbyrst=40 +tdomain=COEF,1.000000 +mdomain=-0.005964,-0.016017,0.008343,0.108516,0.247621 +[GainCoefficients] +Squared_=16.922441816685 +Linear__=48.3105062581599 +Constant=499.506255040877 +[Injection] +Tower=0 +F. SyringeVolume=10 +F. MethodVolume=1 +F. OverrideVolume=0 +R. SyringeVolume=0 +R. MethodVolume=0 +R. OverrideVolume=0 +Maxvial-1=150 +Maxvial-2=0 +Maxvial-3=0 +method specified sample prep= +[FC_VGauge] +CI=NO_FCB +Gauge=HIVACGAUGE +Pressure=1.1E-05 +[Compliance] +_iscompliant=0 +_isRandR=0 +_isSecureFS=0 +_isSecureRemoteFS=0 diff --git a/tests/test_readers/data/agilent_csv/RAU-R505-12.D/RESULTS.CSV b/tests/test_readers/data/agilent_csv/RAU-R505-12.D/RESULTS.CSV new file mode 100644 index 0000000..13fa941 --- /dev/null +++ b/tests/test_readers/data/agilent_csv/RAU-R505-12.D/RESULTS.CSV @@ -0,0 +1,11 @@ +[contents] +count=1 +Name=,D:\MassHunter\GCMS\1\data\Elizabeth\B06\24.06.06\RAU-R505-12.D +1=,INT TIC: RAU-R505-12.D\data.ms +[INT TIC: RAU-R505-12.D\data.ms] +Time=,Fri Jun 07 09:40:14 2024 +Header=,"Peak","R.T.","First","Max","Last","PK TY","Height","Area","Pct Max","Pct Total" +1=, 1, 6.056, 857, 860, 874," M ", 870296, 8718284, 29.05, 18.066 +2=, 2, 6.302, 899, 903, 911," M ",1181456, 8832165, 29.43, 18.302 +3=, 3, 10.155, 1569,1570,1573," M ", 83984, 700231, 2.33, 1.451 +4=, 4, 10.286, 1590,1593,1601," M ",3692553, 30007995,100.00, 62.182 diff --git a/tests/test_readers/data/agilent_csv/RAU-R505-12.D/TEMPBASE b/tests/test_readers/data/agilent_csv/RAU-R505-12.D/TEMPBASE new file mode 100644 index 0000000..e69de29 diff --git a/tests/test_readers/data/agilent_csv/RAU-R505-12.D/acqmeth.txt b/tests/test_readers/data/agilent_csv/RAU-R505-12.D/acqmeth.txt new file mode 100644 index 0000000..2ceabf5 Binary files /dev/null and b/tests/test_readers/data/agilent_csv/RAU-R505-12.D/acqmeth.txt differ diff --git a/tests/test_readers/data/agilent_csv/RAU-R505-12.D/checksum.xml b/tests/test_readers/data/agilent_csv/RAU-R505-12.D/checksum.xml new file mode 100644 index 0000000..7d4027e --- /dev/null +++ b/tests/test_readers/data/agilent_csv/RAU-R505-12.D/checksum.xml @@ -0,0 +1,7 @@ + + + +
+ 20-52-AD-93-BF-00-0B-A5-8A-A7-EB-EC-C2-76-8C-21-AC-BE-5A-A5-30-C0-D8-01-75-80-50-2E-4F-F8-5C-98-3A-D7-0A-17-36-62-4C-F4-05-42-4B-EE-B6-84-18-EE-74-22-C0-2D-7C-53-4F-59-53-2F-8C-C1-11-0C-BF-EB +
+ \ No newline at end of file diff --git a/tests/test_readers/data/agilent_csv/RAU-R505-12.D/data.ms b/tests/test_readers/data/agilent_csv/RAU-R505-12.D/data.ms new file mode 100644 index 0000000..6ef508a Binary files /dev/null and b/tests/test_readers/data/agilent_csv/RAU-R505-12.D/data.ms differ diff --git a/tests/test_readers/data/agilent_csv/RAU-R505-12.D/rteres.txt b/tests/test_readers/data/agilent_csv/RAU-R505-12.D/rteres.txt new file mode 100644 index 0000000..06a7f21 --- /dev/null +++ b/tests/test_readers/data/agilent_csv/RAU-R505-12.D/rteres.txt @@ -0,0 +1,30 @@ + Area Percent Report + + Data Path : D:\MassHunter\GCMS\1\data\Elizabeth\B06\24.06.06\ + Data File : RAU-R505-12.D + Acq On : 06 Jun 2024 18:54 + Operator : Iris + Sample : RAU-R505-12 + Misc : + ALS Vial : 13 Sample Multiplier: 1 + + Integration Parameters: autoint1.e + Integrator: ChemStation + + Method : D:\MassHunter\GCMS\1\methods\Janis12min.M + Title : + + Signal : TIC: RAU-R505-12.D\data.ms + + peak R.T. first max last PK peak corr. corr. % of + # min scan scan scan TY height area % max. total + --- ----- ----- ---- ---- --- ------- ------- ------ ------- + 1 6.056 857 860 874 M 870296 8718284 29.05% 18.066% + 2 6.302 899 903 911 M 1181456 8832165 29.43% 18.302% + 3 10.155 1569 1570 1573 M 83984 700231 2.33% 1.451% + 4 10.286 1590 1593 1601 M 3692553 30007995 100.00% 62.182% + + + Sum of corrected areas: 48258674 + +Janis12min.M Fri Jun 07 09:40:14 2024 diff --git a/tests/test_readers/data/agilent_csv/RAU-R505-12.D/runstart.txt b/tests/test_readers/data/agilent_csv/RAU-R505-12.D/runstart.txt new file mode 100644 index 0000000..0e0ff66 --- /dev/null +++ b/tests/test_readers/data/agilent_csv/RAU-R505-12.D/runstart.txt @@ -0,0 +1,64 @@ + Critical RunStart CP Variables + +CP Variable = Value + + Front Injector Available(_turretfrontavail) = 1 + Rear Injector Available(_turretrearavail) = 0 + Dual Injector Available(_turretdualavail) = 0 + + Injection Source(_injsource) = 1 1,2,3,4,5,6=ALS,Man,Valve,Ext.,PAL,HS,MiniTD + _injloc (_injloc) = 1 + MSD Sample(_msinlet) = 1 1,2=sample1=Front,sample2=Rear + + _ptavail : 1 _dopretreat : 0 _pretreatpath$ : D:\MassHunter\GCMS\1\PreTreat\ + _pretreatfile$ : _pretreatmeth$ : + + _Overlapped _overlap _ALSNEXT, _ALSNEXT2, _Lastlap 0 0 14 14 0 + +_overlapped: Is method currently overlapping? 0 +_overlap: Is hw capable of overlapping? 0 +_alsnext: Next vial front inlet? 14 +_lastlap: Indicator for last entry in SLT 0 + + _seqcheckbar: 0 On Mismatch, Inject Anyway + _seqcheckbarnext: 0 + Expected BCs : 2: + + Next Expected BCs : 2: + + Previous _checkbar : 0 + Previous _barmismatch: 0 + +_maxvial[] 1=150 2=0 3=0 + +Front Sample + + Alsbottle (_alsbottle) = 13 + Methfile (_methfile$) = Janis12min,1minsolventdelay.M + Datafile(,_datafile$) = RAU-R505-12.D + Sample Name (_dataname$) = RAU-R505-12 + Exp. Barcode(_expbarcode$)= + Miscellaneous (_miscinfo$) = + Vol. Override (_injvol) = 0 + Method Volume (_methvol) = 1 + SyringeVolume (_syrvol) = 10 + SyringeVolLow (_syrvollow) = 0 + Multiplier (_multiplr) = 1 + Sample Amt (_sampamt) = 0 + + +Rear Sample + + Alsbottle(_alsbottle2) = 0 + Datafile(_datafile2$) = RAU-R505-12.D + Sample Name(_dataname2$) = RAU-R505-12 + Exp. Barcode(_expbarcode2$) = + Miscellaneous(_miscinfo2$) = + Vol. Override(_injvol2) = 0 + Method Volume(_methvol2) = 0 + SyringeVolume(_syrvol2) = 0 + SyringeVolLow(_syrvollow2) = 0 + Multiplier(_multiplr2) = 1 + Sample Amt(_sampamt2) = 0 + +Thu Jun 06 18:46:09 2024 diff --git a/tests/test_readers/data/agilent_csv/RAU-R505-12.D/tic_front.csv b/tests/test_readers/data/agilent_csv/RAU-R505-12.D/tic_front.csv new file mode 100644 index 0000000..9822577 --- /dev/null +++ b/tests/test_readers/data/agilent_csv/RAU-R505-12.D/tic_front.csv @@ -0,0 +1,2014 @@ +D:\MassHunter\GCMS\1\data\Elizabeth\B06\24.06.06\RAU-R505-12.D 06 Jun 24 06:54 pm +Start of data points +1.09285,27631072 +1.09863,27633338 +1.1044,26645500 +1.11018,26060430 +1.11595,25494312 +1.12173,24842700 +1.1275,24394236 +1.13328,23922016 +1.13905,23320356 +1.14483,22923780 +1.15062,22595066 +1.15638,27748060 +1.16217,697026 +1.16793,547297 +1.17372,483119 +1.17948,454988 +1.18527,503086 +1.19103,662907 +1.19682,980053 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b/tests/test_readers/data/agilent_csv/RAU-R505-13.D/AcqData-CumulativeAuditTrail.xml new file mode 100644 index 0000000..fc97b58 --- /dev/null +++ b/tests/test_readers/data/agilent_csv/RAU-R505-13.D/AcqData-CumulativeAuditTrail.xml @@ -0,0 +1,17 @@ + + + + 0 + WS-CZC83174R0 + system + 2024-06-06T19:08:00.9500141+02:00 + Data collection has been initiated. + + + 1 + WS-CZC83174R0 + system + 2024-06-06T19:29:26.0729365+02:00 + Data has been collected and saved. + + \ No newline at end of file diff --git a/tests/test_readers/data/agilent_csv/RAU-R505-13.D/AcqData/Contents.xml b/tests/test_readers/data/agilent_csv/RAU-R505-13.D/AcqData/Contents.xml new file mode 100644 index 0000000..4f9f3bf --- /dev/null +++ b/tests/test_readers/data/agilent_csv/RAU-R505-13.D/AcqData/Contents.xml @@ -0,0 +1,17 @@ + + + 3 + + + 2024-06-06T19:16:41.5333253+02:00 + + 2 + 5977B MSD + + 0 + + 2 + + 2 + MassHunter GC/MS Acquisition B.07.06.2704 18-Jul-2017 Copyright © 1989-2017 Agilent Technologies, Inc. + \ No newline at end of file diff --git a/tests/test_readers/data/agilent_csv/RAU-R505-13.D/AcqData/Devices.xml b/tests/test_readers/data/agilent_csv/RAU-R505-13.D/AcqData/Devices.xml new file mode 100644 index 0000000..0b92837 --- /dev/null +++ b/tests/test_readers/data/agilent_csv/RAU-R505-13.D/AcqData/Devices.xml @@ -0,0 +1,16 @@ + + + 1 + + SingleQuadrupole + 7.6.0.0 + 6.00.34 + 5977 + 1 + US1827R022 + 2 + 8 + 0 + 1 + + \ No newline at end of file diff --git a/tests/test_readers/data/agilent_csv/RAU-R505-13.D/AcqData/Janis12min,1minsolventdelay.M/acq.ms b/tests/test_readers/data/agilent_csv/RAU-R505-13.D/AcqData/Janis12min,1minsolventdelay.M/acq.ms new file mode 100644 index 0000000..2fcdc23 --- /dev/null +++ b/tests/test_readers/data/agilent_csv/RAU-R505-13.D/AcqData/Janis12min,1minsolventdelay.M/acq.ms @@ -0,0 +1,146 @@ +[Signature] +ID=00000000000000000000000000000000 + +[Version] +ID=G1701CA Version: C.00.00 + +[General] +Type=6 +Inlet=0 +Start Mode=0 +Run Duration=39000 +Solvent Delay=1 +Tune File=ATUNE.U +Group Ions=1 +Acq Mode=0 +Gauges=2 +Fast Scan=0 +TID=0 +EMSaver=0 + +[Zone 1] +ID=1 +On=1 +Soft Max=200 +Set Point=150 +Type=0 + +[Zone 2] +ID=0 +On=1 +Soft Max=250 +Set Point=230 +Type=0 + +[Zone 3] +ID=-1 +On=0 +Soft Max=0 +Set Point=0 +Type=0 + +[Ions 1] +Group Name=OFN-272-LR +Start Time=4.2 +Resolution=1 +Plot Index 1=0 +Number of Ions=1 +Ion 1=272.00,50 +Group EMV Setting=10 +Use Group EMV Setting=true +IonL1= + +[Scan 1] +Start Time=1 +Low Mass=45 +High Mass=550 +Threshold=150 +Sampling=4 +Low Plot 1= +Low Plot 2= +High Plot 1= +High Plot 2= + +[Scan 2] + +[Scan 3] + +[Filters] +Mass Type=0 +Mass Param=0 +Mass Sigma=0 +Time Type=0 +Time Param=0 +Time Sigma=0 + +[Plot] +Plot Type 1=0 +Time Plot 1=0 +Min Plot 1=0 +Max Plot 1=0 +Left Plot 1=0.000000 +Top Plot 1=0.085653 +Width Plot 1=0.520196 +Height Plot 1=0.625268 +Mode Plot 1=2 +Plot Type 2=2 +Time Plot 2=0 +Min Plot 2=0 +Max Plot 2=0 +Left Plot 2=0.198286 +Top Plot 2=0.197002 +Width Plot 2=0.499388 +Height Plot 2=0.501071 +Mode Plot 2=2 +X Gadget Pos 1=5 +Y Gadget Pos 1=230 +X Gadget Pos 2=130 +Y Gadget Pos 2=230 +Low Mass 1=1.6 +High Mass 1=1050 +Plot Label 1= +Low Mass 2=1.6 +High Mass 2=1050 +Plot Label 2= + +[Gauge1] +Type=2 +ID=1 +Display Type=0 +Left Plot=380 +Top Plot=230 +Alarm Error=100.00 +Alarm Warning=100.00 +Alarm Minimum=0.00 +Alarm Set=0 + +[Gauge2] +Type=2 +ID=0 +Display Type=0 +Left Plot=255 +Top Plot=230 +Alarm Error=100.00 +Alarm Warning=100.00 +Alarm Minimum=0.00 +Alarm Set=0 + + +[Parameters] +ID 1=7 +Mode 1=2 +Value 1=1.000000 +ID 2=-1 +Mode 2=0 +Value 2=0.000000 +[Time Events] +Number Events=0 +[SCIS] +H2FlowRate=0.13 +Emission=10 +SourceTemperature=230 +QuadrupoleTemperature=150 +Duration=1.3 +StabilizationDuration=0.166666666666667 +Filament=2 +Mode=None diff --git a/tests/test_readers/data/agilent_csv/RAU-R505-13.D/AcqData/MSPeak.bin b/tests/test_readers/data/agilent_csv/RAU-R505-13.D/AcqData/MSPeak.bin new file mode 100644 index 0000000..92b446a Binary files /dev/null and b/tests/test_readers/data/agilent_csv/RAU-R505-13.D/AcqData/MSPeak.bin differ diff --git a/tests/test_readers/data/agilent_csv/RAU-R505-13.D/AcqData/MSScan.bin b/tests/test_readers/data/agilent_csv/RAU-R505-13.D/AcqData/MSScan.bin new file mode 100644 index 0000000..c616970 Binary files /dev/null and b/tests/test_readers/data/agilent_csv/RAU-R505-13.D/AcqData/MSScan.bin differ diff --git a/tests/test_readers/data/agilent_csv/RAU-R505-13.D/AcqData/MSScan.xsd b/tests/test_readers/data/agilent_csv/RAU-R505-13.D/AcqData/MSScan.xsd new file mode 100644 index 0000000..5157805 --- /dev/null +++ b/tests/test_readers/data/agilent_csv/RAU-R505-13.D/AcqData/MSScan.xsd @@ -0,0 +1,92 @@ + + + + + + + + MSScan binary file index record details + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + diff --git a/tests/test_readers/data/agilent_csv/RAU-R505-13.D/AcqData/MSTS.xml b/tests/test_readers/data/agilent_csv/RAU-R505-13.D/AcqData/MSTS.xml new file mode 100644 index 0000000..3de75d5 --- /dev/null +++ b/tests/test_readers/data/agilent_csv/RAU-R505-13.D/AcqData/MSTS.xml @@ -0,0 +1,14 @@ + + + 3 + + + 0 + + 650 + 2012 + + 0 + + 0 + \ No newline at end of file diff --git a/tests/test_readers/data/agilent_csv/RAU-R505-13.D/AcqData/sample_info.xml b/tests/test_readers/data/agilent_csv/RAU-R505-13.D/AcqData/sample_info.xml new file mode 100644 index 0000000..43d5c95 --- /dev/null +++ b/tests/test_readers/data/agilent_csv/RAU-R505-13.D/AcqData/sample_info.xml @@ -0,0 +1,264 @@ + + 1.0 + + Dilution + Dilution + 1 + 8 + + + + + Inj Vol (µl) + Inj Vol (µl) + 1 + 8 + + + + + Wt/Vol + Wt/Vol + 0 + 8 + + + + + Sample ID + Sample ID + + + 8 + + + + + Sample Name + Sample Name + RAU-R505-13 + 8 + + + + + Sample Position + Sample Position + 14 + 8 + + + + + Sample Type + Sample Type + + + 8 + + + + + Data File + Data File + D:\MassHunter\GCMS\1\data\Elizabeth\B06\24.06.06\RAU-R505-13.D + 8 + + + + + Method + Method + D:\MassHunter\GCMS\1\methods\Janis12min,1minsolventdelay.M + 8 + + + + + Override DA Method + Override DA Method + + + 8 + + + + + Level Name + Level Name + + + 8 + + + + + Comment + Comment + + + 8 + + + + + Balance Override + Balance Override + + + 8 + + + + + Barcode + Barcode + + + 8 + + + + + Equilib Time (min) + Equilib Time (min) + 0 + 8 + + + + + Plate Code + Plate Code + + + 8 + + + + + Plate Position + Plate Position + + + 8 + + + + + Rack Code + Rack Code + + + 8 + + + + + Rack Position + Rack Position + + + 8 + + + + + 1794677476 + Expected Barcode + + + 8 + + + + + 21820256897 + Sample Amount + + + 8 + + + + + 382992136 + Dual Inj Vol + 1 + 8 + + + + + 41562340279 + TuneName + ATUNE.U + 8 + + + + + 5789977628 + TunePath + D:\MassHunter\GCMS\1\5977\ + 8 + + + + + 61307798121 + TuneDateStamp + 2023-11-20T11:52:13+01:00 + 8 + + + + + 7748808862 + MSFirmwareVersion + 6.00.34 + 8 + + + + + OperatorName + OperatorName + Iris + 8 + + + + + AcqTime + AcqTime + 2024-06-06T19:16:41.5333253+02:00 + 8 + + + + + SampleLockedRunMode + SampleLockedRunMode + False + 8 + + + + + RunCompletedFlag + RunCompletedFlag + True + 8 + + + + + InstrumentName + InstrumentName + 5977B MSD + 8 + + + + \ No newline at end of file diff --git a/tests/test_readers/data/agilent_csv/RAU-R505-13.D/AcqData/sequence.xml b/tests/test_readers/data/agilent_csv/RAU-R505-13.D/AcqData/sequence.xml new file mode 100644 index 0000000..7bafc1f --- /dev/null +++ b/tests/test_readers/data/agilent_csv/RAU-R505-13.D/AcqData/sequence.xml @@ -0,0 +1,57 @@ + + + 0 + 0 + Janis12min,1minsolventdelay + D:\MassHunter\GCMS\1\methods\ + + false + + + + RAU-R505-13 + D:\MassHunter\GCMS\1\data\Elizabeth\B06\24.06.06\ + 1 + false + + 14 + 0 + 0 + + 1 + 1 + 5977B MSD + SingleQuadrupole + + + + + false + + 2 + + + + RAU-R505-13 + dummy + + + Sample + + None + None + None + None + + + + + + + + + + + 14 + + \ No newline at end of file diff --git a/tests/test_readers/data/agilent_csv/RAU-R505-13.D/GC.ini b/tests/test_readers/data/agilent_csv/RAU-R505-13.D/GC.ini new file mode 100644 index 0000000..8f2cff0 --- /dev/null +++ b/tests/test_readers/data/agilent_csv/RAU-R505-13.D/GC.ini @@ -0,0 +1,284 @@ +[7890 DriverItem] +gc.fw=B.02.05.1 +gc.sn=CN18333156 +gc.ready=3 +gc.status=1 +ALS.fr.present=1 +ALS.fr.syringe=10 +ALS.fr.volume=1 +ALS.bk.present=0 +ALS.bk.syringe=-1.79769313486232E+308 +ALS.bk.volume=-1.79769313486232E+308 +ALS.tray.present=1 +ALS.bcr.present=0 +gc.runlength=12.7142857142857 +gc.runtime=12.7138926999178 +gc.postrun=0 +gc.posttime=-1.79769313486232E+308 +gc.pressureunits=1 +Oven.T.state=1 +Oven.T.actual=253.9266865 +Oven.T.setpoint=30 +oven.T.ramp=30,30,4,35,300,1 +inlet.fr.T.state=1 +inlet.fr.T.actual=250.036278 +inlet.fr.T.setpoint=250 +inlet.fr.column=1 +inlet.bk.T.state=-1.79769313486232E+308 +inlet.bk.T.actual=-1.79769313486232E+308 +inlet.bk.T.setpoint=-1.79769313486232E+308 +inlet.bk.column=-1.79769313486232E+308 +inlet.fr.gas=He +inlet.fr.p.actual=2383833 +inlet.fr.f.actual=22.71221962 +inlet.fr.mode=SPLIT +inlet.fr.splitratio=50 +inlet.bk.gas=!HW Item is not supported +inlet.bk.p.actual=-1.79769313486232E+308 +inlet.bk.f.actual=-1.79769313486232E+308 +inlet.bk.mode=!HW Item is not supported +inlet.bk.splitratio=-1.79769313486232E+308 +Column.1.F.actual=0.9825711234 +Column.2.F.actual=1.504661335 +Column.3.F.actual=0 +Column.4.F.actual=0 +Column.5.F.actual=0 +Column.6.F.actual=0 +column.1.L=30 +column.1.D=0.00025 +column.1.t=2.5E-07 +column.1.max=325 +column.1.name=Agilent 19091S-433 +column.1.type=HP-5MS 5% Phenyl Methyl Silox +column.2.L=0.4 +column.2.D=0.0001 +column.2.t=0 +column.2.max=350 +column.2.name= +column.3.L=25 +column.3.D=0.00032 +column.3.t=0 +column.3.max=450 +column.3.name= +column.4.L=25 +column.4.D=0.00032 +column.4.t=0 +column.4.max=450 +column.4.name= +column.5.L=25 +column.5.D=0.00032 +column.5.t=0 +column.5.max=450 +column.5.name= +column.6.L=25 +column.6.D=0.00032 +column.6.t=0 +column.6.max=450 +column.6.name= +Column.1.description.Present=true +Column.1.description.NominalLength=30 +Column.1.description.NominalDiameter=0.00025 +Column.1.description.FilmThickness=2.5E-07 +Column.1.description.InletConnection=FRONT_INLET +Column.1.description.OutletConnection=AUX_PRESSURE_3 +Column.1.description.CalculatedLength=30 +Column.1.description.CalculatedDiameter=0.00025 +Column.1.description.CalibrationMode=UNCALIBRATED +Column.1.description.CalibrationDateTime=2000-01-02T00:00:00 +Column.1.description.ColumnMaxTemp=325 +Column.1.description.Name=Agilent 19091S-433 +Column.1.description.Type=HP-5MS 5% Phenyl Methyl Silox +Column.1.description.SerialNumber=93.92873 +Column.2.description.Present=true +Column.2.description.NominalLength=0.4 +Column.2.description.NominalDiameter=0.0001 +Column.2.description.FilmThickness=0 +Column.2.description.InletConnection=AUX_PRESSURE_3 +Column.2.description.OutletConnection=VACUUM +Column.2.description.CalculatedLength=0.4 +Column.2.description.CalculatedDiameter=0.0001 +Column.2.description.CalibrationMode=UNCALIBRATED +Column.2.description.CalibrationDateTime=2000-01-02T00:00:00 +Column.2.description.ColumnMaxTemp=350 +Column.2.description.Name= +Column.2.description.Type="" +Column.2.description.SerialNumber="" +Column.3.description.Present=true +Column.3.description.NominalLength=25 +Column.3.description.NominalDiameter=0.00032 +Column.3.description.FilmThickness=0 +Column.3.description.InletConnection=NONE +Column.3.description.OutletConnection=NONE +Column.3.description.CalculatedLength=25 +Column.3.description.CalculatedDiameter=0.00032 +Column.3.description.CalibrationMode=UNCALIBRATED +Column.3.description.CalibrationDateTime=2000-01-02T00:00:00 +Column.3.description.ColumnMaxTemp=450 +Column.3.description.Name= +Column.3.description.Type="" +Column.3.description.SerialNumber="" +Column.4.description.Present=true +Column.4.description.NominalLength=25 +Column.4.description.NominalDiameter=0.00032 +Column.4.description.FilmThickness=0 +Column.4.description.InletConnection=NONE +Column.4.description.OutletConnection=NONE +Column.4.description.CalculatedLength=25 +Column.4.description.CalculatedDiameter=0.00032 +Column.4.description.CalibrationMode=UNCALIBRATED +Column.4.description.CalibrationDateTime=2000-01-02T00:00:00 +Column.4.description.ColumnMaxTemp=450 +Column.4.description.Name= +Column.4.description.Type="" +Column.4.description.SerialNumber="" +Column.5.description.Present=true +Column.5.description.NominalLength=25 +Column.5.description.NominalDiameter=0.00032 +Column.5.description.FilmThickness=0 +Column.5.description.InletConnection=NONE +Column.5.description.OutletConnection=NONE +Column.5.description.CalculatedLength=25 +Column.5.description.CalculatedDiameter=0.00032 +Column.5.description.CalibrationMode=UNCALIBRATED +Column.5.description.CalibrationDateTime=2000-01-02T00:00:00 +Column.5.description.ColumnMaxTemp=450 +Column.5.description.Name= +Column.5.description.Type="" +Column.5.description.SerialNumber="" +Column.6.description.Present=true +Column.6.description.NominalLength=25 +Column.6.description.NominalDiameter=0.00032 +Column.6.description.FilmThickness=0 +Column.6.description.InletConnection=NONE +Column.6.description.OutletConnection=NONE +Column.6.description.CalculatedLength=25 +Column.6.description.CalculatedDiameter=0.00032 +Column.6.description.CalibrationMode=UNCALIBRATED +Column.6.description.CalibrationDateTime=2000-01-02T00:00:00 +Column.6.description.ColumnMaxTemp=450 +Column.6.description.Name= +Column.6.description.Type="" +Column.6.description.SerialNumber="" +det.fr.T.state=-1.79769313486232E+308 +det.fr.T.setpoint=-1.79769313486232E+308 +det.fr.T.actual=-1.79769313486232E+308 +det.fr.Signal.actual=-1.79769313486232E+308 +det.fr.Fuel.actual=-1.79769313486232E+308 +det.fr.Utility.actual=-1.79769313486232E+308 +det.fr.makeup.actual=-1.79769313486232E+308 +det.bk.T.state=-1.79769313486232E+308 +det.bk.T.setpoint=-1.79769313486232E+308 +det.bk.T.actual=-1.79769313486232E+308 +det.bk.Signal.actual=-1.79769313486232E+308 +det.bk.Fuel.actual=-1.79769313486232E+308 +det.bk.Utility.actual=-1.79769313486232E+308 +det.bk.makeup.actual=-1.79769313486232E+308 +det.aux.T.state=-1.79769313486232E+308 +det.aux.T.setpoint=-1.79769313486232E+308 +det.aux.T.actual=-1.79769313486232E+308 +det.aux.Signal.actual=-1.79769313486232E+308 +det.aux.Fuel.actual=-1.79769313486232E+308 +det.aux.Utility.actual=-1.79769313486232E+308 +det.aux.makeup.actual=-1.79769313486232E+308 +det.4th.T.state=-1.79769313486232E+308 +det.4th.T.setpoint=-1.79769313486232E+308 +det.4th.T.actual=-1.79769313486232E+308 +det.4th.Signal.actual=-1.79769313486232E+308 +det.4th.Fuel.actual=-1.79769313486232E+308 +det.4th.Utility.actual=-1.79769313486232E+308 +det.4th.makeup.actual=-1.79769313486232E+308 +AuxH.1.T.state=-1.79769313486232E+308 +AuxH.1.T.type=-1.79769313486232E+308 +AuxH.1.T.actual=-1.79769313486232E+308 +AuxH.1.T.setpoint=-1.79769313486232E+308 +AuxH.2.T.state=1 +AuxH.2.T.type=-1.79769313486232E+308 +AuxH.2.T.actual=280.1312894 +AuxH.2.T.setpoint=280 +AuxH.3.T.state=-1.79769313486232E+308 +AuxH.3.T.type=-1.79769313486232E+308 +AuxH.3.T.actual=-1.79769313486232E+308 +AuxH.3.T.setpoint=-1.79769313486232E+308 +rtlpressure=1377294.63663279 +rtlpressure.1=1377294.63663279 +rtlpressure.2=879395.685196652 +rtlpressure.3=-1.79769313486232E+308 +rtlpressure.4=-1.79769313486232E+308 +rtlpressure.5=-1.79769313486232E+308 +rtlpressure.6=-1.79769313486232E+308 +Valve.1.state=0 +Valve.2.state=0 +Valve.3.state=0 +Valve.4.state=0 +Valve.5.state=0 +Valve.6.state=0 +Valve.7.state=0 +Valve.8.state=0 +APC.1.A.P.actual=445533 +APC.1.B.P.actual=11539 +APC.1.C.P.actual=1431970 +APC.2.A.P.actual=-1.79769313486232E+308 +APC.2.B.P.actual=-1.79769313486232E+308 +APC.2.C.P.actual=-1.79769313486232E+308 +APC.3.A.P.actual=-1.79769313486232E+308 +APC.3.B.P.actual=-1.79769313486232E+308 +APC.3.C.P.actual=-1.79769313486232E+308 +APC.1.A.P.setpoint=689475.7 +APC.1.B.P.setpoint=689475.7 +APC.1.C.P.setpoint=879395.6852 +APC.2.A.P.setpoint=-1.79769313486232E+308 +APC.2.B.P.setpoint=-1.79769313486232E+308 +APC.2.C.P.setpoint=-1.79769313486232E+308 +APC.3.A.P.setpoint=-1.79769313486232E+308 +APC.3.B.P.setpoint=-1.79769313486232E+308 +APC.3.C.P.setpoint=-1.79769313486232E+308 +APC.1.A.gas=He +APC.1.B.gas=He +APC.1.C.gas=He +APC.2.A.gas=!HW Item is not supported +APC.2.B.gas=!HW Item is not supported +APC.2.C.gas=!HW Item is not supported +APC.3.A.gas=!HW Item is not supported +APC.3.B.gas=!HW Item is not supported +APC.3.C.gas=!HW Item is not supported +pcm.1.a.P.setpoint=-1.79769313486232E+308 +pcm.1.b.P.setpoint=-1.79769313486232E+308 +pcm.2.a.P.setpoint=-1.79769313486232E+308 +pcm.2.b.P.setpoint=-1.79769313486232E+308 +pcm.3.a.P.setpoint=-1.79769313486232E+308 +pcm.3.b.P.setpoint=-1.79769313486232E+308 +pcm.1.a.P.actual=-1.79769313486232E+308 +pcm.1.b.P.actual=-1.79769313486232E+308 +pcm.2.a.P.actual=-1.79769313486232E+308 +pcm.2.b.P.actual=-1.79769313486232E+308 +pcm.3.a.P.actual=-1.79769313486232E+308 +pcm.3.b.P.actual=-1.79769313486232E+308 +pcm.1.a.F.actual=-1.79769313486232E+308 +pcm.1.b.F.actual=-1.79769313486232E+308 +pcm.2.a.F.actual=-1.79769313486232E+308 +pcm.2.b.F.actual=-1.79769313486232E+308 +pcm.3.a.F.actual=-1.79769313486232E+308 +pcm.3.b.F.actual=-1.79769313486232E+308 +pcm.1.a.gas=-1.79769313486232E+308 +pcm.1.b.gas=-1.79769313486232E+308 +pcm.2.a.gas=-1.79769313486232E+308 +pcm.2.b.gas=-1.79769313486232E+308 +pcm.3.a.gas=-1.79769313486232E+308 +pcm.3.b.gas=-1.79769313486232E+308 +AuxP.1.P.actual=445533 +AuxP.2.P.actual=11539 +AuxP.3.P.actual=1431970 +AuxP.4.P.actual=-1.79769313486232E+308 +AuxP.5.P.actual=-1.79769313486232E+308 +AuxP.6.P.actual=-1.79769313486232E+308 +AuxP.7.P.actual=-1.79769313486232E+308 +AuxP.8.P.actual=-1.79769313486232E+308 +AuxP.9.P.actual=-1.79769313486232E+308 +Parameter name: APC.3.C.gas +Parameter name: APC.3.B.gas +Parameter name: APC.3.A.gas +Parameter name: APC.2.C.gas +Parameter name: APC.2.B.gas +Parameter name: APC.2.A.gas +Parameter name: inlet.bk.mode +Parameter name: inlet.bk.gas diff --git a/tests/test_readers/data/agilent_csv/RAU-R505-13.D/PRE_POST.INI b/tests/test_readers/data/agilent_csv/RAU-R505-13.D/PRE_POST.INI new file mode 100644 index 0000000..94d0f48 --- /dev/null +++ b/tests/test_readers/data/agilent_csv/RAU-R505-13.D/PRE_POST.INI @@ -0,0 +1,115 @@ +[POSTRUN] +SOURCE=MS +Application=MassHunter GC/MS Acquisition B.07.06.2704 18-Jul-2017 Copyright © 1989-2017 Agilent Technologies, Inc. +Date=Thu Jun 06 19:29:28 2024 +SampleAmount=0 +Multiplier=1 +SmartCard=AGILENT TECHNOLOGIES,5977,US1827R022,6.00.34 +serial_n=US1827R022 +acqmode=0 +TuneName=ATUNE.U +TunePath=D:\MassHunter\GCMS\1\5977\ +TuneDate=20 Nov 2023 11:52 am +CImode=0 +CIpolarity=0 +SourceTemp=230 +QuadTemp=150 +Pressure=1.10E-05 +Matrix=1 +InitialAmt=1 +FinalAmt=1 +PrimaryFile=\data.ms +PrimaryType=hgfile +DataRecord=REV2:PARAFIT3 +SourceConf=101 +Observedm1=68.9963994372028 +Observedm2=218.954766989366 +Observedm3=502.003028423966 +Instrument Name=5977B MSD +controller=Top Sequence +timestamp=MS ChemStation +[Scan Parameters] +scanstart1=1 +lowmass1=45 +highmass1=550 +[TuneValues] +massgain=53 +massoffset=-26 +amugain=2335 +amuoffset=134.25 +dcpolarity=0 +emission=34.592541048648 +electron=70.0073246658121 +emvolts=1180.00366233291 +ACTUAL_EMVOLTS=1164.1 +GAIN FACTOR= 1.00 +entrance_lens=22.6722032242306 +filament=1 +ionfocus=90.3308509339519 +repeller=19.7593791966793 +entlensoffset=14.1102429495788 +[MS_Faults] +NUM_MS_Faults=0 +[firmware] +MSSC=6.00.34 +BSP=1.2/27.16T +HTTP=0.1 +LUI=04.32A.20160325 +[Type] +Type=1 +MHAcq=1 +[Sequence] +_methpath$=D:\MassHunter\GCMS\1\methods\ +_methfile$=Janis12min,1minsolventdelay.M +SeqFileName=D:\MassHunter\GCMS\1\sequence\IrisH.sequence.xml +[HW Config] +Smartcard=SC3.3 (SC33,40.0,32M,0K,64M,0x3722) +Sideboard=5975HI_SIDEBOARD +Log Amplifier=LOG02,121,54,2,CAL,y618051086 +Vacuum Pump=TURBO_PUMP +Vacuum Guage=HIVACGAUGE +CI Flow Control=NO_FCB +HES Driver PCA=SRC_PCA_TYPE_UNK +[Factors] +Mist=20 +Scan=NORM +A/Ds=16.00 +AVG.=1 +Samp=4 +Step=0.03 +Filter=Mass:ISTD +Qual=PARAFIT3 +SimSampPer=16 +Madly=800,9 +5975NoiseReduction=1 +5975EMSaver=-1 +LagFactors=-0.0285:8e-05:0 +tbyrst=40 +mbyrst=40 +tdomain=COEF,1.000000 +mdomain=-0.005964,-0.016017,0.008343,0.108516,0.247621 +[GainCoefficients] +Squared_=16.922441816685 +Linear__=48.3105062581599 +Constant=499.506255040877 +[Injection] +Tower=0 +F. SyringeVolume=10 +F. MethodVolume=1 +F. OverrideVolume=0 +R. SyringeVolume=0 +R. MethodVolume=0 +R. OverrideVolume=0 +Maxvial-1=150 +Maxvial-2=0 +Maxvial-3=0 +method specified sample prep= +[FC_VGauge] +CI=NO_FCB +Gauge=HIVACGAUGE +Pressure=1.1E-05 +[Compliance] +_iscompliant=0 +_isRandR=0 +_isSecureFS=0 +_isSecureRemoteFS=0 diff --git a/tests/test_readers/data/agilent_csv/RAU-R505-13.D/RESULTS.CSV b/tests/test_readers/data/agilent_csv/RAU-R505-13.D/RESULTS.CSV new file mode 100644 index 0000000..df4f09b --- /dev/null +++ b/tests/test_readers/data/agilent_csv/RAU-R505-13.D/RESULTS.CSV @@ -0,0 +1,11 @@ +[contents] +count=1 +Name=,D:\MassHunter\GCMS\1\data\Elizabeth\B06\24.06.06\RAU-R505-13.D +1=,INT TIC: RAU-R505-13.D\data.ms +[INT TIC: RAU-R505-13.D\data.ms] +Time=,Fri Jun 07 09:40:32 2024 +Header=,"Peak","R.T.","First","Max","Last","PK TY","Height","Area","Pct Max","Pct Total" +1=, 1, 6.058, 856, 861, 877," M ", 598752, 6926895, 14.93, 10.837 +2=, 2, 6.301, 899, 903, 911," M ",1233575, 9540309, 20.56, 14.926 +3=, 3, 10.154, 1568,1570,1572," M ", 144400, 1048770, 2.26, 1.641 +4=, 4, 10.287, 1590,1593,1602," M ",6278308, 46400876,100.00, 72.596 diff --git a/tests/test_readers/data/agilent_csv/RAU-R505-13.D/TEMPBASE b/tests/test_readers/data/agilent_csv/RAU-R505-13.D/TEMPBASE new file mode 100644 index 0000000..e69de29 diff --git a/tests/test_readers/data/agilent_csv/RAU-R505-13.D/acqmeth.txt b/tests/test_readers/data/agilent_csv/RAU-R505-13.D/acqmeth.txt new file mode 100644 index 0000000..6f45cfa Binary files /dev/null and b/tests/test_readers/data/agilent_csv/RAU-R505-13.D/acqmeth.txt differ diff --git a/tests/test_readers/data/agilent_csv/RAU-R505-13.D/checksum.xml b/tests/test_readers/data/agilent_csv/RAU-R505-13.D/checksum.xml new file mode 100644 index 0000000..ac0b48d --- /dev/null +++ b/tests/test_readers/data/agilent_csv/RAU-R505-13.D/checksum.xml @@ -0,0 +1,7 @@ + + + +
+ EB-6C-D2-A5-53-E6-90-64-67-23-4A-23-A3-B9-9E-8E-D3-FF-7E-53-B6-AB-CB-64-E3-65-9C-42-99-31-5C-FE-D5-C9-B5-74-2E-47-5C-27-F1-5D-4C-80-28-40-E1-56-84-82-C7-02-58-9E-6D-43-47-06-A2-B8-77-31-C3-B3 +
+ \ No newline at end of file diff --git a/tests/test_readers/data/agilent_csv/RAU-R505-13.D/data.ms b/tests/test_readers/data/agilent_csv/RAU-R505-13.D/data.ms new file mode 100644 index 0000000..41c3788 Binary files /dev/null and b/tests/test_readers/data/agilent_csv/RAU-R505-13.D/data.ms differ diff --git a/tests/test_readers/data/agilent_csv/RAU-R505-13.D/rteres.txt b/tests/test_readers/data/agilent_csv/RAU-R505-13.D/rteres.txt new file mode 100644 index 0000000..8918eb4 --- /dev/null +++ b/tests/test_readers/data/agilent_csv/RAU-R505-13.D/rteres.txt @@ -0,0 +1,30 @@ + Area Percent Report + + Data Path : D:\MassHunter\GCMS\1\data\Elizabeth\B06\24.06.06\ + Data File : RAU-R505-13.D + Acq On : 06 Jun 2024 19:16 + Operator : Iris + Sample : RAU-R505-13 + Misc : + ALS Vial : 14 Sample Multiplier: 1 + + Integration Parameters: autoint1.e + Integrator: ChemStation + + Method : D:\MassHunter\GCMS\1\methods\Janis12min.M + Title : + + Signal : TIC: RAU-R505-13.D\data.ms + + peak R.T. first max last PK peak corr. corr. % of + # min scan scan scan TY height area % max. total + --- ----- ----- ---- ---- --- ------- ------- ------ ------- + 1 6.058 856 861 877 M 598752 6926895 14.93% 10.837% + 2 6.301 899 903 911 M 1233575 9540309 20.56% 14.926% + 3 10.154 1568 1570 1572 M 144400 1048770 2.26% 1.641% + 4 10.287 1590 1593 1602 M 6278308 46400876 100.00% 72.596% + + + Sum of corrected areas: 63916850 + +Janis12min.M Fri Jun 07 09:40:32 2024 diff --git a/tests/test_readers/data/agilent_csv/RAU-R505-13.D/runstart.txt b/tests/test_readers/data/agilent_csv/RAU-R505-13.D/runstart.txt new file mode 100644 index 0000000..1c99ab2 --- /dev/null +++ b/tests/test_readers/data/agilent_csv/RAU-R505-13.D/runstart.txt @@ -0,0 +1,64 @@ + Critical RunStart CP Variables + +CP Variable = Value + + Front Injector Available(_turretfrontavail) = 1 + Rear Injector Available(_turretrearavail) = 0 + Dual Injector Available(_turretdualavail) = 0 + + Injection Source(_injsource) = 1 1,2,3,4,5,6=ALS,Man,Valve,Ext.,PAL,HS,MiniTD + _injloc (_injloc) = 1 + MSD Sample(_msinlet) = 1 1,2=sample1=Front,sample2=Rear + + _ptavail : 1 _dopretreat : 0 _pretreatpath$ : D:\MassHunter\GCMS\1\PreTreat\ + _pretreatfile$ : _pretreatmeth$ : + + _Overlapped _overlap _ALSNEXT, _ALSNEXT2, _Lastlap 0 0 15 15 0 + +_overlapped: Is method currently overlapping? 0 +_overlap: Is hw capable of overlapping? 0 +_alsnext: Next vial front inlet? 15 +_lastlap: Indicator for last entry in SLT 0 + + _seqcheckbar: 0 On Mismatch, Inject Anyway + _seqcheckbarnext: 0 + Expected BCs : 2: + + Next Expected BCs : 2: + + Previous _checkbar : 0 + Previous _barmismatch: 0 + +_maxvial[] 1=150 2=0 3=0 + +Front Sample + + Alsbottle (_alsbottle) = 14 + Methfile (_methfile$) = Janis12min,1minsolventdelay.M + Datafile(,_datafile$) = RAU-R505-13.D + Sample Name (_dataname$) = RAU-R505-13 + Exp. Barcode(_expbarcode$)= + Miscellaneous (_miscinfo$) = + Vol. Override (_injvol) = 0 + Method Volume (_methvol) = 1 + SyringeVolume (_syrvol) = 10 + SyringeVolLow (_syrvollow) = 0 + Multiplier (_multiplr) = 1 + Sample Amt (_sampamt) = 0 + + +Rear Sample + + Alsbottle(_alsbottle2) = 0 + Datafile(_datafile2$) = RAU-R505-13.D + Sample Name(_dataname2$) = RAU-R505-13 + Exp. Barcode(_expbarcode2$) = + Miscellaneous(_miscinfo2$) = + Vol. Override(_injvol2) = 0 + Method Volume(_methvol2) = 0 + SyringeVolume(_syrvol2) = 0 + SyringeVolLow(_syrvollow2) = 0 + Multiplier(_multiplr2) = 1 + Sample Amt(_sampamt2) = 0 + +Thu Jun 06 19:08:00 2024 diff --git a/tests/test_readers/data/agilent_csv/RAU-R505-13.D/tic_front.csv b/tests/test_readers/data/agilent_csv/RAU-R505-13.D/tic_front.csv new file mode 100644 index 0000000..2d152b9 --- /dev/null +++ b/tests/test_readers/data/agilent_csv/RAU-R505-13.D/tic_front.csv @@ -0,0 +1,2014 @@ +D:\MassHunter\GCMS\1\data\Elizabeth\B06\24.06.06\RAU-R505-13.D 06 Jun 24 07:16 pm +Start of data points +1.09302,28308466 +1.09878,27783370 +1.10457,26673268 +1.11033,25971056 +1.11612,25484862 +1.12188,24839436 +1.12767,24320958 +1.13343,23697418 +1.13922,23365232 +1.14498,22944784 +1.15077,22622836 +1.15653,27864092 +1.16232,676609 +1.16808,520999 +1.17387,456987 +1.17963,428200 +1.18542,487058 +1.19118,658671 +1.19697,965678 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b/tests/test_readers/data/agilent_csv/RAU-R505-14.D/AcqData-CumulativeAuditTrail.xml new file mode 100644 index 0000000..db62a8b --- /dev/null +++ b/tests/test_readers/data/agilent_csv/RAU-R505-14.D/AcqData-CumulativeAuditTrail.xml @@ -0,0 +1,17 @@ + + + + 0 + WS-CZC83174R0 + system + 2024-06-06T19:29:45.9588765+02:00 + Data collection has been initiated. + + + 1 + WS-CZC83174R0 + system + 2024-06-06T19:51:06.8621271+02:00 + Data has been collected and saved. + + \ No newline at end of file diff --git a/tests/test_readers/data/agilent_csv/RAU-R505-14.D/AcqData/Contents.xml b/tests/test_readers/data/agilent_csv/RAU-R505-14.D/AcqData/Contents.xml new file mode 100644 index 0000000..4236546 --- /dev/null +++ b/tests/test_readers/data/agilent_csv/RAU-R505-14.D/AcqData/Contents.xml @@ -0,0 +1,17 @@ + + + 3 + + + 2024-06-06T19:38:22.9787133+02:00 + + 2 + 5977B MSD + + 0 + + 2 + + 2 + MassHunter GC/MS Acquisition B.07.06.2704 18-Jul-2017 Copyright © 1989-2017 Agilent Technologies, Inc. + \ No newline at end of file diff --git a/tests/test_readers/data/agilent_csv/RAU-R505-14.D/AcqData/Devices.xml b/tests/test_readers/data/agilent_csv/RAU-R505-14.D/AcqData/Devices.xml new file mode 100644 index 0000000..0b92837 --- /dev/null +++ b/tests/test_readers/data/agilent_csv/RAU-R505-14.D/AcqData/Devices.xml @@ -0,0 +1,16 @@ + + + 1 + + SingleQuadrupole + 7.6.0.0 + 6.00.34 + 5977 + 1 + US1827R022 + 2 + 8 + 0 + 1 + + \ No newline at end of file diff --git a/tests/test_readers/data/agilent_csv/RAU-R505-14.D/AcqData/Janis12min,1minsolventdelay.M/acq.ms b/tests/test_readers/data/agilent_csv/RAU-R505-14.D/AcqData/Janis12min,1minsolventdelay.M/acq.ms new file mode 100644 index 0000000..2fcdc23 --- /dev/null +++ b/tests/test_readers/data/agilent_csv/RAU-R505-14.D/AcqData/Janis12min,1minsolventdelay.M/acq.ms @@ -0,0 +1,146 @@ +[Signature] +ID=00000000000000000000000000000000 + +[Version] +ID=G1701CA Version: C.00.00 + +[General] +Type=6 +Inlet=0 +Start Mode=0 +Run Duration=39000 +Solvent Delay=1 +Tune File=ATUNE.U +Group Ions=1 +Acq Mode=0 +Gauges=2 +Fast Scan=0 +TID=0 +EMSaver=0 + +[Zone 1] +ID=1 +On=1 +Soft Max=200 +Set Point=150 +Type=0 + +[Zone 2] +ID=0 +On=1 +Soft Max=250 +Set Point=230 +Type=0 + +[Zone 3] +ID=-1 +On=0 +Soft Max=0 +Set Point=0 +Type=0 + +[Ions 1] +Group Name=OFN-272-LR +Start Time=4.2 +Resolution=1 +Plot Index 1=0 +Number of Ions=1 +Ion 1=272.00,50 +Group EMV Setting=10 +Use Group EMV Setting=true +IonL1= + +[Scan 1] +Start Time=1 +Low Mass=45 +High Mass=550 +Threshold=150 +Sampling=4 +Low Plot 1= +Low Plot 2= +High Plot 1= +High Plot 2= + +[Scan 2] + +[Scan 3] + +[Filters] +Mass Type=0 +Mass Param=0 +Mass Sigma=0 +Time Type=0 +Time Param=0 +Time Sigma=0 + +[Plot] +Plot Type 1=0 +Time Plot 1=0 +Min Plot 1=0 +Max Plot 1=0 +Left Plot 1=0.000000 +Top Plot 1=0.085653 +Width Plot 1=0.520196 +Height Plot 1=0.625268 +Mode Plot 1=2 +Plot Type 2=2 +Time Plot 2=0 +Min Plot 2=0 +Max Plot 2=0 +Left Plot 2=0.198286 +Top Plot 2=0.197002 +Width Plot 2=0.499388 +Height Plot 2=0.501071 +Mode Plot 2=2 +X Gadget Pos 1=5 +Y Gadget Pos 1=230 +X Gadget Pos 2=130 +Y Gadget Pos 2=230 +Low Mass 1=1.6 +High Mass 1=1050 +Plot Label 1= +Low Mass 2=1.6 +High Mass 2=1050 +Plot Label 2= + +[Gauge1] +Type=2 +ID=1 +Display Type=0 +Left Plot=380 +Top Plot=230 +Alarm Error=100.00 +Alarm Warning=100.00 +Alarm Minimum=0.00 +Alarm Set=0 + +[Gauge2] +Type=2 +ID=0 +Display Type=0 +Left Plot=255 +Top Plot=230 +Alarm Error=100.00 +Alarm Warning=100.00 +Alarm Minimum=0.00 +Alarm Set=0 + + +[Parameters] +ID 1=7 +Mode 1=2 +Value 1=1.000000 +ID 2=-1 +Mode 2=0 +Value 2=0.000000 +[Time Events] +Number Events=0 +[SCIS] +H2FlowRate=0.13 +Emission=10 +SourceTemperature=230 +QuadrupoleTemperature=150 +Duration=1.3 +StabilizationDuration=0.166666666666667 +Filament=2 +Mode=None diff --git a/tests/test_readers/data/agilent_csv/RAU-R505-14.D/AcqData/MSPeak.bin b/tests/test_readers/data/agilent_csv/RAU-R505-14.D/AcqData/MSPeak.bin new file mode 100644 index 0000000..aaa0bb2 Binary files /dev/null and b/tests/test_readers/data/agilent_csv/RAU-R505-14.D/AcqData/MSPeak.bin differ diff --git a/tests/test_readers/data/agilent_csv/RAU-R505-14.D/AcqData/MSScan.bin b/tests/test_readers/data/agilent_csv/RAU-R505-14.D/AcqData/MSScan.bin new file mode 100644 index 0000000..8d71c1e Binary files /dev/null and b/tests/test_readers/data/agilent_csv/RAU-R505-14.D/AcqData/MSScan.bin differ diff --git a/tests/test_readers/data/agilent_csv/RAU-R505-14.D/AcqData/MSScan.xsd b/tests/test_readers/data/agilent_csv/RAU-R505-14.D/AcqData/MSScan.xsd new file mode 100644 index 0000000..5157805 --- /dev/null +++ b/tests/test_readers/data/agilent_csv/RAU-R505-14.D/AcqData/MSScan.xsd @@ -0,0 +1,92 @@ + + + + + + + + MSScan binary file index record details + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + diff --git a/tests/test_readers/data/agilent_csv/RAU-R505-14.D/AcqData/MSTS.xml b/tests/test_readers/data/agilent_csv/RAU-R505-14.D/AcqData/MSTS.xml new file mode 100644 index 0000000..3de75d5 --- /dev/null +++ b/tests/test_readers/data/agilent_csv/RAU-R505-14.D/AcqData/MSTS.xml @@ -0,0 +1,14 @@ + + + 3 + + + 0 + + 650 + 2012 + + 0 + + 0 + \ No newline at end of file diff --git a/tests/test_readers/data/agilent_csv/RAU-R505-14.D/AcqData/sample_info.xml b/tests/test_readers/data/agilent_csv/RAU-R505-14.D/AcqData/sample_info.xml new file mode 100644 index 0000000..0d1b70e --- /dev/null +++ b/tests/test_readers/data/agilent_csv/RAU-R505-14.D/AcqData/sample_info.xml @@ -0,0 +1,264 @@ + + 1.0 + + Dilution + Dilution + 1 + 8 + + + + + Inj Vol (µl) + Inj Vol (µl) + 1 + 8 + + + + + Wt/Vol + Wt/Vol + 0 + 8 + + + + + Sample ID + Sample ID + + + 8 + + + + + Sample Name + Sample Name + RAU-R505-14 + 8 + + + + + Sample Position + Sample Position + 15 + 8 + + + + + Sample Type + Sample Type + + + 8 + + + + + Data File + Data File + D:\MassHunter\GCMS\1\data\Elizabeth\B06\24.06.06\RAU-R505-14.D + 8 + + + + + Method + Method + D:\MassHunter\GCMS\1\methods\Janis12min,1minsolventdelay.M + 8 + + + + + Override DA Method + Override DA Method + + + 8 + + + + + Level Name + Level Name + + + 8 + + + + + Comment + Comment + + + 8 + + + + + Balance Override + Balance Override + + + 8 + + + + + Barcode + Barcode + + + 8 + + + + + Equilib Time (min) + Equilib Time (min) + 0 + 8 + + + + + Plate Code + Plate Code + + + 8 + + + + + Plate Position + Plate Position + + + 8 + + + + + Rack Code + Rack Code + + + 8 + + + + + Rack Position + Rack Position + + + 8 + + + + + 11640403449 + Expected Barcode + + + 8 + + + + + 21800184173 + Sample Amount + + + 8 + + + + + 31181174670 + Dual Inj Vol + 1 + 8 + + + + + 4358677618 + TuneName + ATUNE.U + 8 + + + + + 51035146704 + TunePath + D:\MassHunter\GCMS\1\5977\ + 8 + + + + + 6491938308 + TuneDateStamp + 2023-11-20T11:52:13+01:00 + 8 + + + + + 71090817271 + MSFirmwareVersion + 6.00.34 + 8 + + + + + OperatorName + OperatorName + Iris + 8 + + + + + AcqTime + AcqTime + 2024-06-06T19:38:22.9787133+02:00 + 8 + + + + + SampleLockedRunMode + SampleLockedRunMode + False + 8 + + + + + RunCompletedFlag + RunCompletedFlag + True + 8 + + + + + InstrumentName + InstrumentName + 5977B MSD + 8 + + + + \ No newline at end of file diff --git a/tests/test_readers/data/agilent_csv/RAU-R505-14.D/AcqData/sequence.xml b/tests/test_readers/data/agilent_csv/RAU-R505-14.D/AcqData/sequence.xml new file mode 100644 index 0000000..022a300 --- /dev/null +++ b/tests/test_readers/data/agilent_csv/RAU-R505-14.D/AcqData/sequence.xml @@ -0,0 +1,57 @@ + + + 0 + 0 + Janis12min,1minsolventdelay + D:\MassHunter\GCMS\1\methods\ + + false + + + + RAU-R505-14 + D:\MassHunter\GCMS\1\data\Elizabeth\B06\24.06.06\ + 1 + false + + 15 + 0 + 0 + + 1 + 1 + 5977B MSD + SingleQuadrupole + + + + + false + + 2 + + + + RAU-R505-14 + dummy + + + Sample + + None + None + None + None + + + + + + + + + + + 15 + + \ No newline at end of file diff --git a/tests/test_readers/data/agilent_csv/RAU-R505-14.D/GC.ini b/tests/test_readers/data/agilent_csv/RAU-R505-14.D/GC.ini new file mode 100644 index 0000000..a101b86 --- /dev/null +++ b/tests/test_readers/data/agilent_csv/RAU-R505-14.D/GC.ini @@ -0,0 +1,284 @@ +[7890 DriverItem] +gc.fw=B.02.05.1 +gc.sn=CN18333156 +gc.ready=3 +gc.status=1 +ALS.fr.present=1 +ALS.fr.syringe=10 +ALS.fr.volume=1 +ALS.bk.present=0 +ALS.bk.syringe=-1.79769313486232E+308 +ALS.bk.volume=-1.79769313486232E+308 +ALS.tray.present=1 +ALS.bcr.present=0 +gc.runlength=12.7142857142857 +gc.runtime=12.7136302000144 +gc.postrun=0 +gc.posttime=-1.79769313486232E+308 +gc.pressureunits=1 +Oven.T.state=1 +Oven.T.actual=257.028875 +Oven.T.setpoint=30 +oven.T.ramp=30,30,4,35,300,1 +inlet.fr.T.state=1 +inlet.fr.T.actual=250.0558737 +inlet.fr.T.setpoint=250 +inlet.fr.column=1 +inlet.bk.T.state=-1.79769313486232E+308 +inlet.bk.T.actual=-1.79769313486232E+308 +inlet.bk.T.setpoint=-1.79769313486232E+308 +inlet.bk.column=-1.79769313486232E+308 +inlet.fr.gas=He +inlet.fr.p.actual=2465124 +inlet.fr.f.actual=8.156760903 +inlet.fr.mode=SPLIT +inlet.fr.splitratio=50 +inlet.bk.gas=!HW Item is not supported +inlet.bk.p.actual=-1.79769313486232E+308 +inlet.bk.f.actual=-1.79769313486232E+308 +inlet.bk.mode=!HW Item is not supported +inlet.bk.splitratio=-1.79769313486232E+308 +Column.1.F.actual=1.065748801 +Column.2.F.actual=1.504968296 +Column.3.F.actual=0 +Column.4.F.actual=0 +Column.5.F.actual=0 +Column.6.F.actual=0 +column.1.L=30 +column.1.D=0.00025 +column.1.t=2.5E-07 +column.1.max=325 +column.1.name=Agilent 19091S-433 +column.1.type=HP-5MS 5% Phenyl Methyl Silox +column.2.L=0.4 +column.2.D=0.0001 +column.2.t=0 +column.2.max=350 +column.2.name= +column.3.L=25 +column.3.D=0.00032 +column.3.t=0 +column.3.max=450 +column.3.name= +column.4.L=25 +column.4.D=0.00032 +column.4.t=0 +column.4.max=450 +column.4.name= +column.5.L=25 +column.5.D=0.00032 +column.5.t=0 +column.5.max=450 +column.5.name= +column.6.L=25 +column.6.D=0.00032 +column.6.t=0 +column.6.max=450 +column.6.name= +Column.1.description.Present=true +Column.1.description.NominalLength=30 +Column.1.description.NominalDiameter=0.00025 +Column.1.description.FilmThickness=2.5E-07 +Column.1.description.InletConnection=FRONT_INLET +Column.1.description.OutletConnection=AUX_PRESSURE_3 +Column.1.description.CalculatedLength=30 +Column.1.description.CalculatedDiameter=0.00025 +Column.1.description.CalibrationMode=UNCALIBRATED +Column.1.description.CalibrationDateTime=2000-01-02T00:00:00 +Column.1.description.ColumnMaxTemp=325 +Column.1.description.Name=Agilent 19091S-433 +Column.1.description.Type=HP-5MS 5% Phenyl Methyl Silox +Column.1.description.SerialNumber=93.92873 +Column.2.description.Present=true +Column.2.description.NominalLength=0.4 +Column.2.description.NominalDiameter=0.0001 +Column.2.description.FilmThickness=0 +Column.2.description.InletConnection=AUX_PRESSURE_3 +Column.2.description.OutletConnection=VACUUM +Column.2.description.CalculatedLength=0.4 +Column.2.description.CalculatedDiameter=0.0001 +Column.2.description.CalibrationMode=UNCALIBRATED +Column.2.description.CalibrationDateTime=2000-01-02T00:00:00 +Column.2.description.ColumnMaxTemp=350 +Column.2.description.Name= +Column.2.description.Type="" +Column.2.description.SerialNumber="" +Column.3.description.Present=true +Column.3.description.NominalLength=25 +Column.3.description.NominalDiameter=0.00032 +Column.3.description.FilmThickness=0 +Column.3.description.InletConnection=NONE +Column.3.description.OutletConnection=NONE +Column.3.description.CalculatedLength=25 +Column.3.description.CalculatedDiameter=0.00032 +Column.3.description.CalibrationMode=UNCALIBRATED +Column.3.description.CalibrationDateTime=2000-01-02T00:00:00 +Column.3.description.ColumnMaxTemp=450 +Column.3.description.Name= +Column.3.description.Type="" +Column.3.description.SerialNumber="" +Column.4.description.Present=true +Column.4.description.NominalLength=25 +Column.4.description.NominalDiameter=0.00032 +Column.4.description.FilmThickness=0 +Column.4.description.InletConnection=NONE +Column.4.description.OutletConnection=NONE +Column.4.description.CalculatedLength=25 +Column.4.description.CalculatedDiameter=0.00032 +Column.4.description.CalibrationMode=UNCALIBRATED +Column.4.description.CalibrationDateTime=2000-01-02T00:00:00 +Column.4.description.ColumnMaxTemp=450 +Column.4.description.Name= +Column.4.description.Type="" +Column.4.description.SerialNumber="" +Column.5.description.Present=true +Column.5.description.NominalLength=25 +Column.5.description.NominalDiameter=0.00032 +Column.5.description.FilmThickness=0 +Column.5.description.InletConnection=NONE +Column.5.description.OutletConnection=NONE +Column.5.description.CalculatedLength=25 +Column.5.description.CalculatedDiameter=0.00032 +Column.5.description.CalibrationMode=UNCALIBRATED +Column.5.description.CalibrationDateTime=2000-01-02T00:00:00 +Column.5.description.ColumnMaxTemp=450 +Column.5.description.Name= +Column.5.description.Type="" +Column.5.description.SerialNumber="" +Column.6.description.Present=true +Column.6.description.NominalLength=25 +Column.6.description.NominalDiameter=0.00032 +Column.6.description.FilmThickness=0 +Column.6.description.InletConnection=NONE +Column.6.description.OutletConnection=NONE +Column.6.description.CalculatedLength=25 +Column.6.description.CalculatedDiameter=0.00032 +Column.6.description.CalibrationMode=UNCALIBRATED +Column.6.description.CalibrationDateTime=2000-01-02T00:00:00 +Column.6.description.ColumnMaxTemp=450 +Column.6.description.Name= +Column.6.description.Type="" +Column.6.description.SerialNumber="" +det.fr.T.state=-1.79769313486232E+308 +det.fr.T.setpoint=-1.79769313486232E+308 +det.fr.T.actual=-1.79769313486232E+308 +det.fr.Signal.actual=-1.79769313486232E+308 +det.fr.Fuel.actual=-1.79769313486232E+308 +det.fr.Utility.actual=-1.79769313486232E+308 +det.fr.makeup.actual=-1.79769313486232E+308 +det.bk.T.state=-1.79769313486232E+308 +det.bk.T.setpoint=-1.79769313486232E+308 +det.bk.T.actual=-1.79769313486232E+308 +det.bk.Signal.actual=-1.79769313486232E+308 +det.bk.Fuel.actual=-1.79769313486232E+308 +det.bk.Utility.actual=-1.79769313486232E+308 +det.bk.makeup.actual=-1.79769313486232E+308 +det.aux.T.state=-1.79769313486232E+308 +det.aux.T.setpoint=-1.79769313486232E+308 +det.aux.T.actual=-1.79769313486232E+308 +det.aux.Signal.actual=-1.79769313486232E+308 +det.aux.Fuel.actual=-1.79769313486232E+308 +det.aux.Utility.actual=-1.79769313486232E+308 +det.aux.makeup.actual=-1.79769313486232E+308 +det.4th.T.state=-1.79769313486232E+308 +det.4th.T.setpoint=-1.79769313486232E+308 +det.4th.T.actual=-1.79769313486232E+308 +det.4th.Signal.actual=-1.79769313486232E+308 +det.4th.Fuel.actual=-1.79769313486232E+308 +det.4th.Utility.actual=-1.79769313486232E+308 +det.4th.makeup.actual=-1.79769313486232E+308 +AuxH.1.T.state=-1.79769313486232E+308 +AuxH.1.T.type=-1.79769313486232E+308 +AuxH.1.T.actual=-1.79769313486232E+308 +AuxH.1.T.setpoint=-1.79769313486232E+308 +AuxH.2.T.state=1 +AuxH.2.T.type=-1.79769313486232E+308 +AuxH.2.T.actual=280.1571387 +AuxH.2.T.setpoint=280 +AuxH.3.T.state=-1.79769313486232E+308 +AuxH.3.T.type=-1.79769313486232E+308 +AuxH.3.T.actual=-1.79769313486232E+308 +AuxH.3.T.setpoint=-1.79769313486232E+308 +rtlpressure=1377294.63663279 +rtlpressure.1=1377294.63663279 +rtlpressure.2=879395.685196652 +rtlpressure.3=-1.79769313486232E+308 +rtlpressure.4=-1.79769313486232E+308 +rtlpressure.5=-1.79769313486232E+308 +rtlpressure.6=-1.79769313486232E+308 +Valve.1.state=0 +Valve.2.state=0 +Valve.3.state=0 +Valve.4.state=0 +Valve.5.state=0 +Valve.6.state=0 +Valve.7.state=0 +Valve.8.state=0 +APC.1.A.P.actual=445355 +APC.1.B.P.actual=11477 +APC.1.C.P.actual=1437467 +APC.2.A.P.actual=-1.79769313486232E+308 +APC.2.B.P.actual=-1.79769313486232E+308 +APC.2.C.P.actual=-1.79769313486232E+308 +APC.3.A.P.actual=-1.79769313486232E+308 +APC.3.B.P.actual=-1.79769313486232E+308 +APC.3.C.P.actual=-1.79769313486232E+308 +APC.1.A.P.setpoint=689475.7 +APC.1.B.P.setpoint=689475.7 +APC.1.C.P.setpoint=879395.6852 +APC.2.A.P.setpoint=-1.79769313486232E+308 +APC.2.B.P.setpoint=-1.79769313486232E+308 +APC.2.C.P.setpoint=-1.79769313486232E+308 +APC.3.A.P.setpoint=-1.79769313486232E+308 +APC.3.B.P.setpoint=-1.79769313486232E+308 +APC.3.C.P.setpoint=-1.79769313486232E+308 +APC.1.A.gas=He +APC.1.B.gas=He +APC.1.C.gas=He +APC.2.A.gas=!HW Item is not supported +APC.2.B.gas=!HW Item is not supported +APC.2.C.gas=!HW Item is not supported +APC.3.A.gas=!HW Item is not supported +APC.3.B.gas=!HW Item is not supported +APC.3.C.gas=!HW Item is not supported +pcm.1.a.P.setpoint=-1.79769313486232E+308 +pcm.1.b.P.setpoint=-1.79769313486232E+308 +pcm.2.a.P.setpoint=-1.79769313486232E+308 +pcm.2.b.P.setpoint=-1.79769313486232E+308 +pcm.3.a.P.setpoint=-1.79769313486232E+308 +pcm.3.b.P.setpoint=-1.79769313486232E+308 +pcm.1.a.P.actual=-1.79769313486232E+308 +pcm.1.b.P.actual=-1.79769313486232E+308 +pcm.2.a.P.actual=-1.79769313486232E+308 +pcm.2.b.P.actual=-1.79769313486232E+308 +pcm.3.a.P.actual=-1.79769313486232E+308 +pcm.3.b.P.actual=-1.79769313486232E+308 +pcm.1.a.F.actual=-1.79769313486232E+308 +pcm.1.b.F.actual=-1.79769313486232E+308 +pcm.2.a.F.actual=-1.79769313486232E+308 +pcm.2.b.F.actual=-1.79769313486232E+308 +pcm.3.a.F.actual=-1.79769313486232E+308 +pcm.3.b.F.actual=-1.79769313486232E+308 +pcm.1.a.gas=-1.79769313486232E+308 +pcm.1.b.gas=-1.79769313486232E+308 +pcm.2.a.gas=-1.79769313486232E+308 +pcm.2.b.gas=-1.79769313486232E+308 +pcm.3.a.gas=-1.79769313486232E+308 +pcm.3.b.gas=-1.79769313486232E+308 +AuxP.1.P.actual=445355 +AuxP.2.P.actual=11477 +AuxP.3.P.actual=1437467 +AuxP.4.P.actual=-1.79769313486232E+308 +AuxP.5.P.actual=-1.79769313486232E+308 +AuxP.6.P.actual=-1.79769313486232E+308 +AuxP.7.P.actual=-1.79769313486232E+308 +AuxP.8.P.actual=-1.79769313486232E+308 +AuxP.9.P.actual=-1.79769313486232E+308 +Parameter name: APC.3.C.gas +Parameter name: APC.3.B.gas +Parameter name: APC.3.A.gas +Parameter name: APC.2.C.gas +Parameter name: APC.2.B.gas +Parameter name: APC.2.A.gas +Parameter name: inlet.bk.mode +Parameter name: inlet.bk.gas diff --git a/tests/test_readers/data/agilent_csv/RAU-R505-14.D/PRE_POST.INI b/tests/test_readers/data/agilent_csv/RAU-R505-14.D/PRE_POST.INI new file mode 100644 index 0000000..c6dc9e3 --- /dev/null +++ b/tests/test_readers/data/agilent_csv/RAU-R505-14.D/PRE_POST.INI @@ -0,0 +1,115 @@ +[POSTRUN] +SOURCE=MS +Application=MassHunter GC/MS Acquisition B.07.06.2704 18-Jul-2017 Copyright © 1989-2017 Agilent Technologies, Inc. +Date=Thu Jun 06 19:51:09 2024 +SampleAmount=0 +Multiplier=1 +SmartCard=AGILENT TECHNOLOGIES,5977,US1827R022,6.00.34 +serial_n=US1827R022 +acqmode=0 +TuneName=ATUNE.U +TunePath=D:\MassHunter\GCMS\1\5977\ +TuneDate=20 Nov 2023 11:52 am +CImode=0 +CIpolarity=0 +SourceTemp=230 +QuadTemp=150 +Pressure=1.10E-05 +Matrix=1 +InitialAmt=1 +FinalAmt=1 +PrimaryFile=\data.ms +PrimaryType=hgfile +DataRecord=REV2:PARAFIT3 +SourceConf=101 +Observedm1=68.9963994372028 +Observedm2=218.954766989366 +Observedm3=502.003028423966 +Instrument Name=5977B MSD +controller=Top Sequence +timestamp=MS ChemStation +[Scan Parameters] +scanstart1=1 +lowmass1=45 +highmass1=550 +[TuneValues] +massgain=53 +massoffset=-26 +amugain=2335 +amuoffset=134.25 +dcpolarity=0 +emission=34.592541048648 +electron=70.0073246658121 +emvolts=1180.00366233291 +ACTUAL_EMVOLTS=1164.1 +GAIN FACTOR= 1.00 +entrance_lens=22.6722032242306 +filament=1 +ionfocus=90.3308509339519 +repeller=19.7593791966793 +entlensoffset=14.1102429495788 +[MS_Faults] +NUM_MS_Faults=0 +[firmware] +MSSC=6.00.34 +BSP=1.2/27.16T +HTTP=0.1 +LUI=04.32A.20160325 +[Type] +Type=1 +MHAcq=1 +[Sequence] +_methpath$=D:\MassHunter\GCMS\1\methods\ +_methfile$=Janis12min,1minsolventdelay.M +SeqFileName=D:\MassHunter\GCMS\1\sequence\IrisH.sequence.xml +[HW Config] +Smartcard=SC3.3 (SC33,40.0,32M,0K,64M,0x3722) +Sideboard=5975HI_SIDEBOARD +Log Amplifier=LOG02,121,54,2,CAL,y618051086 +Vacuum Pump=TURBO_PUMP +Vacuum Guage=HIVACGAUGE +CI Flow Control=NO_FCB +HES Driver PCA=SRC_PCA_TYPE_UNK +[Factors] +Mist=20 +Scan=NORM +A/Ds=16.00 +AVG.=1 +Samp=4 +Step=0.03 +Filter=Mass:ISTD +Qual=PARAFIT3 +SimSampPer=16 +Madly=800,9 +5975NoiseReduction=1 +5975EMSaver=-1 +LagFactors=-0.0285:8e-05:0 +tbyrst=40 +mbyrst=40 +tdomain=COEF,1.000000 +mdomain=-0.005964,-0.016017,0.008343,0.108516,0.247621 +[GainCoefficients] +Squared_=16.922441816685 +Linear__=48.3105062581599 +Constant=499.506255040877 +[Injection] +Tower=0 +F. SyringeVolume=10 +F. MethodVolume=1 +F. OverrideVolume=0 +R. SyringeVolume=0 +R. MethodVolume=0 +R. OverrideVolume=0 +Maxvial-1=150 +Maxvial-2=0 +Maxvial-3=0 +method specified sample prep= +[FC_VGauge] +CI=NO_FCB +Gauge=HIVACGAUGE +Pressure=1.1E-05 +[Compliance] +_iscompliant=0 +_isRandR=0 +_isSecureFS=0 +_isSecureRemoteFS=0 diff --git a/tests/test_readers/data/agilent_csv/RAU-R505-14.D/RESULTS.CSV b/tests/test_readers/data/agilent_csv/RAU-R505-14.D/RESULTS.CSV new file mode 100644 index 0000000..fc861cc --- /dev/null +++ b/tests/test_readers/data/agilent_csv/RAU-R505-14.D/RESULTS.CSV @@ -0,0 +1,11 @@ +[contents] +count=1 +Name=,D:\MassHunter\GCMS\1\data\Elizabeth\B06\24.06.06\RAU-R505-14.D +1=,INT TIC: RAU-R505-14.D\data.ms +[INT TIC: RAU-R505-14.D\data.ms] +Time=,Fri Jun 07 09:41:02 2024 +Header=,"Peak","R.T.","First","Max","Last","PK TY","Height","Area","Pct Max","Pct Total" +1=, 1, 6.061, 856, 861, 874," M ", 390954, 4344990, 8.70, 6.767 +2=, 2, 6.301, 898, 903, 913," M ",1149537, 8573613, 17.16, 13.352 +3=, 3, 10.154, 1568,1570,1573," M ", 158314, 1326174, 2.65, 2.065 +4=, 4, 10.287, 1590,1593,1602," M ",6674748, 49967776,100.00, 77.816 diff --git a/tests/test_readers/data/agilent_csv/RAU-R505-14.D/TEMPBASE b/tests/test_readers/data/agilent_csv/RAU-R505-14.D/TEMPBASE new file mode 100644 index 0000000..e69de29 diff --git a/tests/test_readers/data/agilent_csv/RAU-R505-14.D/acqmeth.txt b/tests/test_readers/data/agilent_csv/RAU-R505-14.D/acqmeth.txt new file mode 100644 index 0000000..1f8f42a Binary files /dev/null and b/tests/test_readers/data/agilent_csv/RAU-R505-14.D/acqmeth.txt differ diff --git a/tests/test_readers/data/agilent_csv/RAU-R505-14.D/checksum.xml b/tests/test_readers/data/agilent_csv/RAU-R505-14.D/checksum.xml new file mode 100644 index 0000000..279d8f6 --- /dev/null +++ b/tests/test_readers/data/agilent_csv/RAU-R505-14.D/checksum.xml @@ -0,0 +1,7 @@ + + + +
+ F5-F0-4A-15-D5-83-DF-A1-AC-1C-12-39-C5-5C-25-CE-74-C9-19-4E-39-E7-74-27-59-25-82-49-87-A7-74-31-9D-FC-CC-1A-B1-03-36-B6-35-6E-A9-8E-09-49-06-CE-F0-2F-E5-FE-7A-8E-F4-D4-F4-7F-F9-8B-D1-4D-16-44 +
+ \ No newline at end of file diff --git a/tests/test_readers/data/agilent_csv/RAU-R505-14.D/data.ms b/tests/test_readers/data/agilent_csv/RAU-R505-14.D/data.ms new file mode 100644 index 0000000..a59a524 Binary files /dev/null and b/tests/test_readers/data/agilent_csv/RAU-R505-14.D/data.ms differ diff --git a/tests/test_readers/data/agilent_csv/RAU-R505-14.D/rteres.txt b/tests/test_readers/data/agilent_csv/RAU-R505-14.D/rteres.txt new file mode 100644 index 0000000..14fc54c --- /dev/null +++ b/tests/test_readers/data/agilent_csv/RAU-R505-14.D/rteres.txt @@ -0,0 +1,30 @@ + Area Percent Report + + Data Path : D:\MassHunter\GCMS\1\data\Elizabeth\B06\24.06.06\ + Data File : RAU-R505-14.D + Acq On : 06 Jun 2024 19:38 + Operator : Iris + Sample : RAU-R505-14 + Misc : + ALS Vial : 15 Sample Multiplier: 1 + + Integration Parameters: autoint1.e + Integrator: ChemStation + + Method : D:\MassHunter\GCMS\1\methods\Janis12min.M + Title : + + Signal : TIC: RAU-R505-14.D\data.ms + + peak R.T. first max last PK peak corr. corr. % of + # min scan scan scan TY height area % max. total + --- ----- ----- ---- ---- --- ------- ------- ------ ------- + 1 6.061 856 861 874 M 390954 4344990 8.70% 6.767% + 2 6.301 898 903 913 M 1149537 8573613 17.16% 13.352% + 3 10.154 1568 1570 1573 M 158314 1326174 2.65% 2.065% + 4 10.287 1590 1593 1602 M 6674748 49967776 100.00% 77.816% + + + Sum of corrected areas: 64212553 + +Janis12min.M Fri Jun 07 09:41:02 2024 diff --git a/tests/test_readers/data/agilent_csv/RAU-R505-14.D/runstart.txt b/tests/test_readers/data/agilent_csv/RAU-R505-14.D/runstart.txt new file mode 100644 index 0000000..3f59463 --- /dev/null +++ b/tests/test_readers/data/agilent_csv/RAU-R505-14.D/runstart.txt @@ -0,0 +1,64 @@ + Critical RunStart CP Variables + +CP Variable = Value + + Front Injector Available(_turretfrontavail) = 1 + Rear Injector Available(_turretrearavail) = 0 + Dual Injector Available(_turretdualavail) = 0 + + Injection Source(_injsource) = 1 1,2,3,4,5,6=ALS,Man,Valve,Ext.,PAL,HS,MiniTD + _injloc (_injloc) = 1 + MSD Sample(_msinlet) = 1 1,2=sample1=Front,sample2=Rear + + _ptavail : 1 _dopretreat : 0 _pretreatpath$ : D:\MassHunter\GCMS\1\PreTreat\ + _pretreatfile$ : _pretreatmeth$ : + + _Overlapped _overlap _ALSNEXT, _ALSNEXT2, _Lastlap 0 0 16 16 0 + +_overlapped: Is method currently overlapping? 0 +_overlap: Is hw capable of overlapping? 0 +_alsnext: Next vial front inlet? 16 +_lastlap: Indicator for last entry in SLT 0 + + _seqcheckbar: 0 On Mismatch, Inject Anyway + _seqcheckbarnext: 0 + Expected BCs : 2: + + Next Expected BCs : 2: + + Previous _checkbar : 0 + Previous _barmismatch: 0 + +_maxvial[] 1=150 2=0 3=0 + +Front Sample + + Alsbottle (_alsbottle) = 15 + Methfile (_methfile$) = Janis12min,1minsolventdelay.M + Datafile(,_datafile$) = RAU-R505-14.D + Sample Name (_dataname$) = RAU-R505-14 + Exp. Barcode(_expbarcode$)= + Miscellaneous (_miscinfo$) = + Vol. Override (_injvol) = 0 + Method Volume (_methvol) = 1 + SyringeVolume (_syrvol) = 10 + SyringeVolLow (_syrvollow) = 0 + Multiplier (_multiplr) = 1 + Sample Amt (_sampamt) = 0 + + +Rear Sample + + Alsbottle(_alsbottle2) = 0 + Datafile(_datafile2$) = RAU-R505-14.D + Sample Name(_dataname2$) = RAU-R505-14 + Exp. Barcode(_expbarcode2$) = + Miscellaneous(_miscinfo2$) = + Vol. Override(_injvol2) = 0 + Method Volume(_methvol2) = 0 + SyringeVolume(_syrvol2) = 0 + SyringeVolLow(_syrvollow2) = 0 + Multiplier(_multiplr2) = 1 + Sample Amt(_sampamt2) = 0 + +Thu Jun 06 19:29:45 2024 diff --git a/tests/test_readers/data/agilent_csv/RAU-R505-14.D/tic_front.csv b/tests/test_readers/data/agilent_csv/RAU-R505-14.D/tic_front.csv new file mode 100644 index 0000000..ae61c5b --- /dev/null +++ b/tests/test_readers/data/agilent_csv/RAU-R505-14.D/tic_front.csv @@ -0,0 +1,2014 @@ +D:\MassHunter\GCMS\1\data\Elizabeth\B06\24.06.06\RAU-R505-14.D 06 Jun 24 07:38 pm +Start of data points +1.09263,27381328 +1.09842,27740506 +1.10418,26669640 +1.10997,26010890 +1.11573,25390332 +1.12152,24722702 +1.12728,24354708 +1.13307,23809080 +1.13883,23275350 +1.14462,22964102 +1.15038,22809990 +1.15617,27855634 +1.16193,689965 +1.16772,530924 +1.17348,468233 +1.17927,438973 +1.18503,492616 +1.19082,648451 +1.19658,947573 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b/tests/test_readers/data/agilent_csv/RAU-R505-15.D/AcqData-CumulativeAuditTrail.xml @@ -0,0 +1,17 @@ + + + + 0 + WS-CZC83174R0 + system + 2024-06-06T19:51:25.9513744+02:00 + Data collection has been initiated. + + + 1 + WS-CZC83174R0 + system + 2024-06-06T20:12:55.5585481+02:00 + Data has been collected and saved. + + \ No newline at end of file diff --git a/tests/test_readers/data/agilent_csv/RAU-R505-15.D/AcqData/Contents.xml b/tests/test_readers/data/agilent_csv/RAU-R505-15.D/AcqData/Contents.xml new file mode 100644 index 0000000..95dc906 --- /dev/null +++ b/tests/test_readers/data/agilent_csv/RAU-R505-15.D/AcqData/Contents.xml @@ -0,0 +1,17 @@ + + + 3 + + + 2024-06-06T20:00:12.7667107+02:00 + + 2 + 5977B MSD + + 0 + + 2 + + 2 + MassHunter GC/MS Acquisition B.07.06.2704 18-Jul-2017 Copyright © 1989-2017 Agilent Technologies, Inc. + \ No newline at end of file diff --git a/tests/test_readers/data/agilent_csv/RAU-R505-15.D/AcqData/Devices.xml b/tests/test_readers/data/agilent_csv/RAU-R505-15.D/AcqData/Devices.xml new file mode 100644 index 0000000..0b92837 --- /dev/null +++ b/tests/test_readers/data/agilent_csv/RAU-R505-15.D/AcqData/Devices.xml @@ -0,0 +1,16 @@ + + + 1 + + SingleQuadrupole + 7.6.0.0 + 6.00.34 + 5977 + 1 + US1827R022 + 2 + 8 + 0 + 1 + + \ No newline at end of file diff --git a/tests/test_readers/data/agilent_csv/RAU-R505-15.D/AcqData/Janis12min,1minsolventdelay.M/acq.ms b/tests/test_readers/data/agilent_csv/RAU-R505-15.D/AcqData/Janis12min,1minsolventdelay.M/acq.ms new file mode 100644 index 0000000..2fcdc23 --- /dev/null +++ b/tests/test_readers/data/agilent_csv/RAU-R505-15.D/AcqData/Janis12min,1minsolventdelay.M/acq.ms @@ -0,0 +1,146 @@ +[Signature] +ID=00000000000000000000000000000000 + +[Version] +ID=G1701CA Version: C.00.00 + +[General] +Type=6 +Inlet=0 +Start Mode=0 +Run Duration=39000 +Solvent Delay=1 +Tune File=ATUNE.U +Group Ions=1 +Acq Mode=0 +Gauges=2 +Fast Scan=0 +TID=0 +EMSaver=0 + +[Zone 1] +ID=1 +On=1 +Soft Max=200 +Set Point=150 +Type=0 + +[Zone 2] +ID=0 +On=1 +Soft Max=250 +Set Point=230 +Type=0 + +[Zone 3] +ID=-1 +On=0 +Soft Max=0 +Set Point=0 +Type=0 + +[Ions 1] +Group Name=OFN-272-LR +Start Time=4.2 +Resolution=1 +Plot Index 1=0 +Number of Ions=1 +Ion 1=272.00,50 +Group EMV Setting=10 +Use Group EMV Setting=true +IonL1= + +[Scan 1] +Start Time=1 +Low Mass=45 +High Mass=550 +Threshold=150 +Sampling=4 +Low Plot 1= +Low Plot 2= +High Plot 1= +High Plot 2= + +[Scan 2] + +[Scan 3] + +[Filters] +Mass Type=0 +Mass Param=0 +Mass Sigma=0 +Time Type=0 +Time Param=0 +Time Sigma=0 + +[Plot] +Plot Type 1=0 +Time Plot 1=0 +Min Plot 1=0 +Max Plot 1=0 +Left Plot 1=0.000000 +Top Plot 1=0.085653 +Width Plot 1=0.520196 +Height Plot 1=0.625268 +Mode Plot 1=2 +Plot Type 2=2 +Time Plot 2=0 +Min Plot 2=0 +Max Plot 2=0 +Left Plot 2=0.198286 +Top Plot 2=0.197002 +Width Plot 2=0.499388 +Height Plot 2=0.501071 +Mode Plot 2=2 +X Gadget Pos 1=5 +Y Gadget Pos 1=230 +X Gadget Pos 2=130 +Y Gadget Pos 2=230 +Low Mass 1=1.6 +High Mass 1=1050 +Plot Label 1= +Low Mass 2=1.6 +High Mass 2=1050 +Plot Label 2= + +[Gauge1] +Type=2 +ID=1 +Display Type=0 +Left Plot=380 +Top Plot=230 +Alarm Error=100.00 +Alarm Warning=100.00 +Alarm Minimum=0.00 +Alarm Set=0 + +[Gauge2] +Type=2 +ID=0 +Display Type=0 +Left Plot=255 +Top Plot=230 +Alarm Error=100.00 +Alarm Warning=100.00 +Alarm Minimum=0.00 +Alarm Set=0 + + +[Parameters] +ID 1=7 +Mode 1=2 +Value 1=1.000000 +ID 2=-1 +Mode 2=0 +Value 2=0.000000 +[Time Events] +Number Events=0 +[SCIS] +H2FlowRate=0.13 +Emission=10 +SourceTemperature=230 +QuadrupoleTemperature=150 +Duration=1.3 +StabilizationDuration=0.166666666666667 +Filament=2 +Mode=None diff --git a/tests/test_readers/data/agilent_csv/RAU-R505-15.D/AcqData/MSPeak.bin b/tests/test_readers/data/agilent_csv/RAU-R505-15.D/AcqData/MSPeak.bin new file mode 100644 index 0000000..1c59a91 Binary files /dev/null and b/tests/test_readers/data/agilent_csv/RAU-R505-15.D/AcqData/MSPeak.bin differ diff --git a/tests/test_readers/data/agilent_csv/RAU-R505-15.D/AcqData/MSScan.bin b/tests/test_readers/data/agilent_csv/RAU-R505-15.D/AcqData/MSScan.bin new file mode 100644 index 0000000..7e8bf61 Binary files /dev/null and b/tests/test_readers/data/agilent_csv/RAU-R505-15.D/AcqData/MSScan.bin differ diff --git a/tests/test_readers/data/agilent_csv/RAU-R505-15.D/AcqData/MSScan.xsd b/tests/test_readers/data/agilent_csv/RAU-R505-15.D/AcqData/MSScan.xsd new file mode 100644 index 0000000..5157805 --- /dev/null +++ b/tests/test_readers/data/agilent_csv/RAU-R505-15.D/AcqData/MSScan.xsd @@ -0,0 +1,92 @@ + + + + + + + + MSScan binary file index record details + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + diff --git a/tests/test_readers/data/agilent_csv/RAU-R505-15.D/AcqData/MSTS.xml b/tests/test_readers/data/agilent_csv/RAU-R505-15.D/AcqData/MSTS.xml new file mode 100644 index 0000000..3de75d5 --- /dev/null +++ b/tests/test_readers/data/agilent_csv/RAU-R505-15.D/AcqData/MSTS.xml @@ -0,0 +1,14 @@ + + + 3 + + + 0 + + 650 + 2012 + + 0 + + 0 + \ No newline at end of file diff --git a/tests/test_readers/data/agilent_csv/RAU-R505-15.D/AcqData/sample_info.xml b/tests/test_readers/data/agilent_csv/RAU-R505-15.D/AcqData/sample_info.xml new file mode 100644 index 0000000..439c234 --- /dev/null +++ b/tests/test_readers/data/agilent_csv/RAU-R505-15.D/AcqData/sample_info.xml @@ -0,0 +1,264 @@ + + 1.0 + + Dilution + Dilution + 1 + 8 + + + + + Inj Vol (µl) + Inj Vol (µl) + 1 + 8 + + + + + Wt/Vol + Wt/Vol + 0 + 8 + + + + + Sample ID + Sample ID + + + 8 + + + + + Sample Name + Sample Name + RAU-R505-15 + 8 + + + + + Sample Position + Sample Position + 16 + 8 + + + + + Sample Type + Sample Type + + + 8 + + + + + Data File + Data File + D:\MassHunter\GCMS\1\data\Elizabeth\B06\24.06.06\RAU-R505-15.D + 8 + + + + + Method + Method + D:\MassHunter\GCMS\1\methods\Janis12min,1minsolventdelay.M + 8 + + + + + Override DA Method + Override DA Method + + + 8 + + + + + Level Name + Level Name + + + 8 + + + + + Comment + Comment + + + 8 + + + + + Balance Override + Balance Override + + + 8 + + + + + Barcode + Barcode + + + 8 + + + + + Equilib Time (min) + Equilib Time (min) + 0 + 8 + + + + + Plate Code + Plate Code + + + 8 + + + + + Plate Position + Plate Position + + + 8 + + + + + Rack Code + Rack Code + + + 8 + + + + + Rack Position + Rack Position + + + 8 + + + + + 1673264530 + Expected Barcode + + + 8 + + + + + 2743985565 + Sample Amount + + + 8 + + + + + 31618859769 + Dual Inj Vol + 1 + 8 + + + + + 41206233986 + TuneName + ATUNE.U + 8 + + + + + 51546082988 + TunePath + D:\MassHunter\GCMS\1\5977\ + 8 + + + + + 6849113033 + TuneDateStamp + 2023-11-20T11:52:13+01:00 + 8 + + + + + 798589226 + MSFirmwareVersion + 6.00.34 + 8 + + + + + OperatorName + OperatorName + Iris + 8 + + + + + AcqTime + AcqTime + 2024-06-06T20:00:12.7667107+02:00 + 8 + + + + + SampleLockedRunMode + SampleLockedRunMode + False + 8 + + + + + RunCompletedFlag + RunCompletedFlag + True + 8 + + + + + InstrumentName + InstrumentName + 5977B MSD + 8 + + + + \ No newline at end of file diff --git a/tests/test_readers/data/agilent_csv/RAU-R505-15.D/AcqData/sequence.xml b/tests/test_readers/data/agilent_csv/RAU-R505-15.D/AcqData/sequence.xml new file mode 100644 index 0000000..3bbc609 --- /dev/null +++ b/tests/test_readers/data/agilent_csv/RAU-R505-15.D/AcqData/sequence.xml @@ -0,0 +1,57 @@ + + + 0 + 0 + Janis12min,1minsolventdelay + D:\MassHunter\GCMS\1\methods\ + + false + + + + RAU-R505-15 + D:\MassHunter\GCMS\1\data\Elizabeth\B06\24.06.06\ + 1 + false + + 16 + 0 + 0 + + 1 + 1 + 5977B MSD + SingleQuadrupole + + + + + false + + 2 + + + + RAU-R505-15 + dummy + + + Sample + + None + None + None + None + + + + + + + + + + + 16 + + \ No newline at end of file diff --git a/tests/test_readers/data/agilent_csv/RAU-R505-15.D/GC.ini b/tests/test_readers/data/agilent_csv/RAU-R505-15.D/GC.ini new file mode 100644 index 0000000..74ee76d --- /dev/null +++ b/tests/test_readers/data/agilent_csv/RAU-R505-15.D/GC.ini @@ -0,0 +1,284 @@ +[7890 DriverItem] +gc.fw=B.02.05.1 +gc.sn=CN18333156 +gc.ready=3 +gc.status=1 +ALS.fr.present=1 +ALS.fr.syringe=10 +ALS.fr.volume=1 +ALS.bk.present=0 +ALS.bk.syringe=-1.79769313486232E+308 +ALS.bk.volume=-1.79769313486232E+308 +ALS.tray.present=1 +ALS.bcr.present=0 +gc.runlength=12.7142857142857 +gc.runtime=12.7138697833288 +gc.postrun=0 +gc.posttime=-1.79769313486232E+308 +gc.pressureunits=1 +Oven.T.state=1 +Oven.T.actual=256.5055749 +Oven.T.setpoint=30 +oven.T.ramp=30,30,4,35,300,1 +inlet.fr.T.state=1 +inlet.fr.T.actual=250.0576982 +inlet.fr.T.setpoint=250 +inlet.fr.column=1 +inlet.bk.T.state=-1.79769313486232E+308 +inlet.bk.T.actual=-1.79769313486232E+308 +inlet.bk.T.setpoint=-1.79769313486232E+308 +inlet.bk.column=-1.79769313486232E+308 +inlet.fr.gas=He +inlet.fr.p.actual=2438518 +inlet.fr.f.actual=10.55506373 +inlet.fr.mode=SPLIT +inlet.fr.splitratio=50 +inlet.bk.gas=!HW Item is not supported +inlet.bk.p.actual=-1.79769313486232E+308 +inlet.bk.f.actual=-1.79769313486232E+308 +inlet.bk.mode=!HW Item is not supported +inlet.bk.splitratio=-1.79769313486232E+308 +Column.1.F.actual=1.035618208 +Column.2.F.actual=1.504884791 +Column.3.F.actual=0 +Column.4.F.actual=0 +Column.5.F.actual=0 +Column.6.F.actual=0 +column.1.L=30 +column.1.D=0.00025 +column.1.t=2.5E-07 +column.1.max=325 +column.1.name=Agilent 19091S-433 +column.1.type=HP-5MS 5% Phenyl Methyl Silox +column.2.L=0.4 +column.2.D=0.0001 +column.2.t=0 +column.2.max=350 +column.2.name= +column.3.L=25 +column.3.D=0.00032 +column.3.t=0 +column.3.max=450 +column.3.name= +column.4.L=25 +column.4.D=0.00032 +column.4.t=0 +column.4.max=450 +column.4.name= +column.5.L=25 +column.5.D=0.00032 +column.5.t=0 +column.5.max=450 +column.5.name= +column.6.L=25 +column.6.D=0.00032 +column.6.t=0 +column.6.max=450 +column.6.name= +Column.1.description.Present=true +Column.1.description.NominalLength=30 +Column.1.description.NominalDiameter=0.00025 +Column.1.description.FilmThickness=2.5E-07 +Column.1.description.InletConnection=FRONT_INLET +Column.1.description.OutletConnection=AUX_PRESSURE_3 +Column.1.description.CalculatedLength=30 +Column.1.description.CalculatedDiameter=0.00025 +Column.1.description.CalibrationMode=UNCALIBRATED +Column.1.description.CalibrationDateTime=2000-01-02T00:00:00 +Column.1.description.ColumnMaxTemp=325 +Column.1.description.Name=Agilent 19091S-433 +Column.1.description.Type=HP-5MS 5% Phenyl Methyl Silox +Column.1.description.SerialNumber=93.92873 +Column.2.description.Present=true +Column.2.description.NominalLength=0.4 +Column.2.description.NominalDiameter=0.0001 +Column.2.description.FilmThickness=0 +Column.2.description.InletConnection=AUX_PRESSURE_3 +Column.2.description.OutletConnection=VACUUM +Column.2.description.CalculatedLength=0.4 +Column.2.description.CalculatedDiameter=0.0001 +Column.2.description.CalibrationMode=UNCALIBRATED +Column.2.description.CalibrationDateTime=2000-01-02T00:00:00 +Column.2.description.ColumnMaxTemp=350 +Column.2.description.Name= +Column.2.description.Type="" +Column.2.description.SerialNumber="" +Column.3.description.Present=true +Column.3.description.NominalLength=25 +Column.3.description.NominalDiameter=0.00032 +Column.3.description.FilmThickness=0 +Column.3.description.InletConnection=NONE +Column.3.description.OutletConnection=NONE +Column.3.description.CalculatedLength=25 +Column.3.description.CalculatedDiameter=0.00032 +Column.3.description.CalibrationMode=UNCALIBRATED +Column.3.description.CalibrationDateTime=2000-01-02T00:00:00 +Column.3.description.ColumnMaxTemp=450 +Column.3.description.Name= +Column.3.description.Type="" +Column.3.description.SerialNumber="" +Column.4.description.Present=true +Column.4.description.NominalLength=25 +Column.4.description.NominalDiameter=0.00032 +Column.4.description.FilmThickness=0 +Column.4.description.InletConnection=NONE +Column.4.description.OutletConnection=NONE +Column.4.description.CalculatedLength=25 +Column.4.description.CalculatedDiameter=0.00032 +Column.4.description.CalibrationMode=UNCALIBRATED +Column.4.description.CalibrationDateTime=2000-01-02T00:00:00 +Column.4.description.ColumnMaxTemp=450 +Column.4.description.Name= +Column.4.description.Type="" +Column.4.description.SerialNumber="" +Column.5.description.Present=true +Column.5.description.NominalLength=25 +Column.5.description.NominalDiameter=0.00032 +Column.5.description.FilmThickness=0 +Column.5.description.InletConnection=NONE +Column.5.description.OutletConnection=NONE +Column.5.description.CalculatedLength=25 +Column.5.description.CalculatedDiameter=0.00032 +Column.5.description.CalibrationMode=UNCALIBRATED +Column.5.description.CalibrationDateTime=2000-01-02T00:00:00 +Column.5.description.ColumnMaxTemp=450 +Column.5.description.Name= +Column.5.description.Type="" +Column.5.description.SerialNumber="" +Column.6.description.Present=true +Column.6.description.NominalLength=25 +Column.6.description.NominalDiameter=0.00032 +Column.6.description.FilmThickness=0 +Column.6.description.InletConnection=NONE +Column.6.description.OutletConnection=NONE +Column.6.description.CalculatedLength=25 +Column.6.description.CalculatedDiameter=0.00032 +Column.6.description.CalibrationMode=UNCALIBRATED +Column.6.description.CalibrationDateTime=2000-01-02T00:00:00 +Column.6.description.ColumnMaxTemp=450 +Column.6.description.Name= +Column.6.description.Type="" +Column.6.description.SerialNumber="" +det.fr.T.state=-1.79769313486232E+308 +det.fr.T.setpoint=-1.79769313486232E+308 +det.fr.T.actual=-1.79769313486232E+308 +det.fr.Signal.actual=-1.79769313486232E+308 +det.fr.Fuel.actual=-1.79769313486232E+308 +det.fr.Utility.actual=-1.79769313486232E+308 +det.fr.makeup.actual=-1.79769313486232E+308 +det.bk.T.state=-1.79769313486232E+308 +det.bk.T.setpoint=-1.79769313486232E+308 +det.bk.T.actual=-1.79769313486232E+308 +det.bk.Signal.actual=-1.79769313486232E+308 +det.bk.Fuel.actual=-1.79769313486232E+308 +det.bk.Utility.actual=-1.79769313486232E+308 +det.bk.makeup.actual=-1.79769313486232E+308 +det.aux.T.state=-1.79769313486232E+308 +det.aux.T.setpoint=-1.79769313486232E+308 +det.aux.T.actual=-1.79769313486232E+308 +det.aux.Signal.actual=-1.79769313486232E+308 +det.aux.Fuel.actual=-1.79769313486232E+308 +det.aux.Utility.actual=-1.79769313486232E+308 +det.aux.makeup.actual=-1.79769313486232E+308 +det.4th.T.state=-1.79769313486232E+308 +det.4th.T.setpoint=-1.79769313486232E+308 +det.4th.T.actual=-1.79769313486232E+308 +det.4th.Signal.actual=-1.79769313486232E+308 +det.4th.Fuel.actual=-1.79769313486232E+308 +det.4th.Utility.actual=-1.79769313486232E+308 +det.4th.makeup.actual=-1.79769313486232E+308 +AuxH.1.T.state=-1.79769313486232E+308 +AuxH.1.T.type=-1.79769313486232E+308 +AuxH.1.T.actual=-1.79769313486232E+308 +AuxH.1.T.setpoint=-1.79769313486232E+308 +AuxH.2.T.state=1 +AuxH.2.T.type=-1.79769313486232E+308 +AuxH.2.T.actual=280.0657015 +AuxH.2.T.setpoint=280 +AuxH.3.T.state=-1.79769313486232E+308 +AuxH.3.T.type=-1.79769313486232E+308 +AuxH.3.T.actual=-1.79769313486232E+308 +AuxH.3.T.setpoint=-1.79769313486232E+308 +rtlpressure=1377294.63663279 +rtlpressure.1=1377294.63663279 +rtlpressure.2=879395.685196652 +rtlpressure.3=-1.79769313486232E+308 +rtlpressure.4=-1.79769313486232E+308 +rtlpressure.5=-1.79769313486232E+308 +rtlpressure.6=-1.79769313486232E+308 +Valve.1.state=0 +Valve.2.state=0 +Valve.3.state=0 +Valve.4.state=0 +Valve.5.state=0 +Valve.6.state=0 +Valve.7.state=0 +Valve.8.state=0 +APC.1.A.P.actual=445074 +APC.1.B.P.actual=11290 +APC.1.C.P.actual=1436822 +APC.2.A.P.actual=-1.79769313486232E+308 +APC.2.B.P.actual=-1.79769313486232E+308 +APC.2.C.P.actual=-1.79769313486232E+308 +APC.3.A.P.actual=-1.79769313486232E+308 +APC.3.B.P.actual=-1.79769313486232E+308 +APC.3.C.P.actual=-1.79769313486232E+308 +APC.1.A.P.setpoint=689475.7 +APC.1.B.P.setpoint=689475.7 +APC.1.C.P.setpoint=879395.6852 +APC.2.A.P.setpoint=-1.79769313486232E+308 +APC.2.B.P.setpoint=-1.79769313486232E+308 +APC.2.C.P.setpoint=-1.79769313486232E+308 +APC.3.A.P.setpoint=-1.79769313486232E+308 +APC.3.B.P.setpoint=-1.79769313486232E+308 +APC.3.C.P.setpoint=-1.79769313486232E+308 +APC.1.A.gas=He +APC.1.B.gas=He +APC.1.C.gas=He +APC.2.A.gas=!HW Item is not supported +APC.2.B.gas=!HW Item is not supported +APC.2.C.gas=!HW Item is not supported +APC.3.A.gas=!HW Item is not supported +APC.3.B.gas=!HW Item is not supported +APC.3.C.gas=!HW Item is not supported +pcm.1.a.P.setpoint=-1.79769313486232E+308 +pcm.1.b.P.setpoint=-1.79769313486232E+308 +pcm.2.a.P.setpoint=-1.79769313486232E+308 +pcm.2.b.P.setpoint=-1.79769313486232E+308 +pcm.3.a.P.setpoint=-1.79769313486232E+308 +pcm.3.b.P.setpoint=-1.79769313486232E+308 +pcm.1.a.P.actual=-1.79769313486232E+308 +pcm.1.b.P.actual=-1.79769313486232E+308 +pcm.2.a.P.actual=-1.79769313486232E+308 +pcm.2.b.P.actual=-1.79769313486232E+308 +pcm.3.a.P.actual=-1.79769313486232E+308 +pcm.3.b.P.actual=-1.79769313486232E+308 +pcm.1.a.F.actual=-1.79769313486232E+308 +pcm.1.b.F.actual=-1.79769313486232E+308 +pcm.2.a.F.actual=-1.79769313486232E+308 +pcm.2.b.F.actual=-1.79769313486232E+308 +pcm.3.a.F.actual=-1.79769313486232E+308 +pcm.3.b.F.actual=-1.79769313486232E+308 +pcm.1.a.gas=-1.79769313486232E+308 +pcm.1.b.gas=-1.79769313486232E+308 +pcm.2.a.gas=-1.79769313486232E+308 +pcm.2.b.gas=-1.79769313486232E+308 +pcm.3.a.gas=-1.79769313486232E+308 +pcm.3.b.gas=-1.79769313486232E+308 +AuxP.1.P.actual=445084 +AuxP.2.P.actual=11314 +AuxP.3.P.actual=1418590 +AuxP.4.P.actual=-1.79769313486232E+308 +AuxP.5.P.actual=-1.79769313486232E+308 +AuxP.6.P.actual=-1.79769313486232E+308 +AuxP.7.P.actual=-1.79769313486232E+308 +AuxP.8.P.actual=-1.79769313486232E+308 +AuxP.9.P.actual=-1.79769313486232E+308 +Parameter name: APC.3.C.gas +Parameter name: APC.3.B.gas +Parameter name: APC.3.A.gas +Parameter name: APC.2.C.gas +Parameter name: APC.2.B.gas +Parameter name: APC.2.A.gas +Parameter name: inlet.bk.mode +Parameter name: inlet.bk.gas diff --git a/tests/test_readers/data/agilent_csv/RAU-R505-15.D/PRE_POST.INI b/tests/test_readers/data/agilent_csv/RAU-R505-15.D/PRE_POST.INI new file mode 100644 index 0000000..1846410 --- /dev/null +++ b/tests/test_readers/data/agilent_csv/RAU-R505-15.D/PRE_POST.INI @@ -0,0 +1,115 @@ +[POSTRUN] +SOURCE=MS +Application=MassHunter GC/MS Acquisition B.07.06.2704 18-Jul-2017 Copyright © 1989-2017 Agilent Technologies, Inc. +Date=Thu Jun 06 20:12:58 2024 +SampleAmount=0 +Multiplier=1 +SmartCard=AGILENT TECHNOLOGIES,5977,US1827R022,6.00.34 +serial_n=US1827R022 +acqmode=0 +TuneName=ATUNE.U +TunePath=D:\MassHunter\GCMS\1\5977\ +TuneDate=20 Nov 2023 11:52 am +CImode=0 +CIpolarity=0 +SourceTemp=230 +QuadTemp=150 +Pressure=1.10E-05 +Matrix=1 +InitialAmt=1 +FinalAmt=1 +PrimaryFile=\data.ms +PrimaryType=hgfile +DataRecord=REV2:PARAFIT3 +SourceConf=101 +Observedm1=68.9963994372028 +Observedm2=218.954766989366 +Observedm3=502.003028423966 +Instrument Name=5977B MSD +controller=Top Sequence +timestamp=MS ChemStation +[Scan Parameters] +scanstart1=1 +lowmass1=45 +highmass1=550 +[TuneValues] +massgain=53 +massoffset=-26 +amugain=2335 +amuoffset=134.25 +dcpolarity=0 +emission=34.592541048648 +electron=70.0073246658121 +emvolts=1180.00366233291 +ACTUAL_EMVOLTS=1164.1 +GAIN FACTOR= 1.00 +entrance_lens=22.6722032242306 +filament=1 +ionfocus=90.3308509339519 +repeller=19.7593791966793 +entlensoffset=14.1102429495788 +[MS_Faults] +NUM_MS_Faults=0 +[firmware] +MSSC=6.00.34 +BSP=1.2/27.16T +HTTP=0.1 +LUI=04.32A.20160325 +[Type] +Type=1 +MHAcq=1 +[Sequence] +_methpath$=D:\MassHunter\GCMS\1\methods\ +_methfile$=Janis12min,1minsolventdelay.M +SeqFileName=D:\MassHunter\GCMS\1\sequence\IrisH.sequence.xml +[HW Config] +Smartcard=SC3.3 (SC33,40.0,32M,0K,64M,0x3722) +Sideboard=5975HI_SIDEBOARD +Log Amplifier=LOG02,121,54,2,CAL,y618051086 +Vacuum Pump=TURBO_PUMP +Vacuum Guage=HIVACGAUGE +CI Flow Control=NO_FCB +HES Driver PCA=SRC_PCA_TYPE_UNK +[Factors] +Mist=20 +Scan=NORM +A/Ds=16.00 +AVG.=1 +Samp=4 +Step=0.03 +Filter=Mass:ISTD +Qual=PARAFIT3 +SimSampPer=16 +Madly=800,9 +5975NoiseReduction=1 +5975EMSaver=-1 +LagFactors=-0.0285:8e-05:0 +tbyrst=40 +mbyrst=40 +tdomain=COEF,1.000000 +mdomain=-0.005964,-0.016017,0.008343,0.108516,0.247621 +[GainCoefficients] +Squared_=16.922441816685 +Linear__=48.3105062581599 +Constant=499.506255040877 +[Injection] +Tower=0 +F. SyringeVolume=10 +F. MethodVolume=1 +F. OverrideVolume=0 +R. SyringeVolume=0 +R. MethodVolume=0 +R. OverrideVolume=0 +Maxvial-1=150 +Maxvial-2=0 +Maxvial-3=0 +method specified sample prep= +[FC_VGauge] +CI=NO_FCB +Gauge=HIVACGAUGE +Pressure=1.1E-05 +[Compliance] +_iscompliant=0 +_isRandR=0 +_isSecureFS=0 +_isSecureRemoteFS=0 diff --git a/tests/test_readers/data/agilent_csv/RAU-R505-15.D/RESULTS.CSV b/tests/test_readers/data/agilent_csv/RAU-R505-15.D/RESULTS.CSV new file mode 100644 index 0000000..6488f91 --- /dev/null +++ b/tests/test_readers/data/agilent_csv/RAU-R505-15.D/RESULTS.CSV @@ -0,0 +1,11 @@ +[contents] +count=1 +Name=,D:\MassHunter\GCMS\1\data\Elizabeth\B06\24.06.06\RAU-R505-15.D +1=,INT TIC: RAU-R505-15.D\data.ms +[INT TIC: RAU-R505-15.D\data.ms] +Time=,Fri Jun 07 09:41:17 2024 +Header=,"Peak","R.T.","First","Max","Last","PK TY","Height","Area","Pct Max","Pct Total" +1=, 1, 6.061, 857, 861, 874," M ", 430456, 4676477, 5.71, 4.628 +2=, 2, 6.301, 899, 903, 910," M ",1567507, 12023206, 14.67, 11.898 +3=, 3, 10.154, 1566,1570,1575," M ", 278620, 2418145, 2.95, 2.393 +4=, 4, 10.290, 1590,1593,1606," M ",9600656, 81931557,100.00, 81.081 diff --git a/tests/test_readers/data/agilent_csv/RAU-R505-15.D/TEMPBASE b/tests/test_readers/data/agilent_csv/RAU-R505-15.D/TEMPBASE new file mode 100644 index 0000000..e69de29 diff --git a/tests/test_readers/data/agilent_csv/RAU-R505-15.D/acqmeth.txt b/tests/test_readers/data/agilent_csv/RAU-R505-15.D/acqmeth.txt new file mode 100644 index 0000000..1199df0 Binary files /dev/null and b/tests/test_readers/data/agilent_csv/RAU-R505-15.D/acqmeth.txt differ diff --git a/tests/test_readers/data/agilent_csv/RAU-R505-15.D/checksum.xml b/tests/test_readers/data/agilent_csv/RAU-R505-15.D/checksum.xml new file mode 100644 index 0000000..9d59ad7 --- /dev/null +++ b/tests/test_readers/data/agilent_csv/RAU-R505-15.D/checksum.xml @@ -0,0 +1,7 @@ + + + +
+ 76-3C-E6-F2-B4-34-F3-24-C1-F7-33-2B-07-73-5A-DC-E9-A5-E4-60-F6-48-4F-AE-CF-B8-58-DF-02-37-A2-F9-B6-7C-8C-F0-C7-63-13-E1-31-B6-35-5B-47-EA-C1-4E-80-D9-38-AE-AE-81-55-EE-72-76-13-76-92-AB-91-E5 +
+ \ No newline at end of file diff --git a/tests/test_readers/data/agilent_csv/RAU-R505-15.D/data.ms b/tests/test_readers/data/agilent_csv/RAU-R505-15.D/data.ms new file mode 100644 index 0000000..6171255 Binary files /dev/null and b/tests/test_readers/data/agilent_csv/RAU-R505-15.D/data.ms differ diff --git a/tests/test_readers/data/agilent_csv/RAU-R505-15.D/rteres.txt b/tests/test_readers/data/agilent_csv/RAU-R505-15.D/rteres.txt new file mode 100644 index 0000000..db6f0dc --- /dev/null +++ b/tests/test_readers/data/agilent_csv/RAU-R505-15.D/rteres.txt @@ -0,0 +1,30 @@ + Area Percent Report + + Data Path : D:\MassHunter\GCMS\1\data\Elizabeth\B06\24.06.06\ + Data File : RAU-R505-15.D + Acq On : 06 Jun 2024 20:00 + Operator : Iris + Sample : RAU-R505-15 + Misc : + ALS Vial : 16 Sample Multiplier: 1 + + Integration Parameters: autoint1.e + Integrator: ChemStation + + Method : D:\MassHunter\GCMS\1\methods\Janis12min.M + Title : + + Signal : TIC: RAU-R505-15.D\data.ms + + peak R.T. first max last PK peak corr. corr. % of + # min scan scan scan TY height area % max. total + --- ----- ----- ---- ---- --- ------- ------- ------ ------- + 1 6.061 857 861 874 M 430456 4676477 5.71% 4.628% + 2 6.301 899 903 910 M 1567507 12023206 14.67% 11.898% + 3 10.154 1566 1570 1575 M 278620 2418145 2.95% 2.393% + 4 10.290 1590 1593 1606 M 9600656 81931557 100.00% 81.081% + + + Sum of corrected areas: 101049385 + +Janis12min.M Fri Jun 07 09:41:17 2024 diff --git a/tests/test_readers/data/agilent_csv/RAU-R505-15.D/runstart.txt b/tests/test_readers/data/agilent_csv/RAU-R505-15.D/runstart.txt new file mode 100644 index 0000000..2a6d5c7 --- /dev/null +++ b/tests/test_readers/data/agilent_csv/RAU-R505-15.D/runstart.txt @@ -0,0 +1,64 @@ + Critical RunStart CP Variables + +CP Variable = Value + + Front Injector Available(_turretfrontavail) = 1 + Rear Injector Available(_turretrearavail) = 0 + Dual Injector Available(_turretdualavail) = 0 + + Injection Source(_injsource) = 1 1,2,3,4,5,6=ALS,Man,Valve,Ext.,PAL,HS,MiniTD + _injloc (_injloc) = 1 + MSD Sample(_msinlet) = 1 1,2=sample1=Front,sample2=Rear + + _ptavail : 1 _dopretreat : 0 _pretreatpath$ : D:\MassHunter\GCMS\1\PreTreat\ + _pretreatfile$ : _pretreatmeth$ : + + _Overlapped _overlap _ALSNEXT, _ALSNEXT2, _Lastlap 0 0 17 17 0 + +_overlapped: Is method currently overlapping? 0 +_overlap: Is hw capable of overlapping? 0 +_alsnext: Next vial front inlet? 17 +_lastlap: Indicator for last entry in SLT 0 + + _seqcheckbar: 0 On Mismatch, Inject Anyway + _seqcheckbarnext: 0 + Expected BCs : 2: + + Next Expected BCs : 2: + + Previous _checkbar : 0 + Previous _barmismatch: 0 + +_maxvial[] 1=150 2=0 3=0 + +Front Sample + + Alsbottle (_alsbottle) = 16 + Methfile (_methfile$) = Janis12min,1minsolventdelay.M + Datafile(,_datafile$) = RAU-R505-15.D + Sample Name (_dataname$) = RAU-R505-15 + Exp. Barcode(_expbarcode$)= + Miscellaneous (_miscinfo$) = + Vol. Override (_injvol) = 0 + Method Volume (_methvol) = 1 + SyringeVolume (_syrvol) = 10 + SyringeVolLow (_syrvollow) = 0 + Multiplier (_multiplr) = 1 + Sample Amt (_sampamt) = 0 + + +Rear Sample + + Alsbottle(_alsbottle2) = 0 + Datafile(_datafile2$) = RAU-R505-15.D + Sample Name(_dataname2$) = RAU-R505-15 + Exp. Barcode(_expbarcode2$) = + Miscellaneous(_miscinfo2$) = + Vol. Override(_injvol2) = 0 + Method Volume(_methvol2) = 0 + SyringeVolume(_syrvol2) = 0 + SyringeVolLow(_syrvollow2) = 0 + Multiplier(_multiplr2) = 1 + Sample Amt(_sampamt2) = 0 + +Thu Jun 06 19:51:25 2024 diff --git a/tests/test_readers/data/agilent_csv/RAU-R505-15.D/tic_front.csv b/tests/test_readers/data/agilent_csv/RAU-R505-15.D/tic_front.csv new file mode 100644 index 0000000..3e85595 --- /dev/null +++ b/tests/test_readers/data/agilent_csv/RAU-R505-15.D/tic_front.csv @@ -0,0 +1,2014 @@ +D:\MassHunter\GCMS\1\data\Elizabeth\B06\24.06.06\RAU-R505-15.D 06 Jun 24 08:00 pm +Start of data points +1.09305,28292858 +1.09883,27755790 +1.1046,26719572 +1.11038,25928182 +1.11615,25432332 +1.12193,24901816 +1.1277,24320738 +1.13348,23700160 +1.13925,23515100 +1.14503,23012300 +1.1508,22313276 +1.15658,27396276 +1.16235,699653 +1.16813,549630 +1.1739,493328 +1.17968,463843 +1.18545,508129 +1.19123,668752 +1.197,968645 +1.20278,1321285 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0000000..8fd5c44 --- /dev/null +++ b/tests/test_readers/data/agilent_csv/RAU-R505-16.D/AcqData-CumulativeAuditTrail.xml @@ -0,0 +1,17 @@ + + + + 0 + WS-CZC83174R0 + system + 2024-06-06T20:13:15.3351742+02:00 + Data collection has been initiated. + + + 1 + WS-CZC83174R0 + system + 2024-06-06T20:34:37.6779175+02:00 + Data has been collected and saved. + + \ No newline at end of file diff --git a/tests/test_readers/data/agilent_csv/RAU-R505-16.D/AcqData/Contents.xml b/tests/test_readers/data/agilent_csv/RAU-R505-16.D/AcqData/Contents.xml new file mode 100644 index 0000000..0cff182 --- /dev/null +++ b/tests/test_readers/data/agilent_csv/RAU-R505-16.D/AcqData/Contents.xml @@ -0,0 +1,17 @@ + + + 3 + + + 2024-06-06T20:21:53.3097776+02:00 + + 2 + 5977B MSD + + 0 + + 2 + + 2 + MassHunter GC/MS Acquisition B.07.06.2704 18-Jul-2017 Copyright © 1989-2017 Agilent Technologies, Inc. + \ No newline at end of file diff --git a/tests/test_readers/data/agilent_csv/RAU-R505-16.D/AcqData/Devices.xml b/tests/test_readers/data/agilent_csv/RAU-R505-16.D/AcqData/Devices.xml new file mode 100644 index 0000000..0b92837 --- /dev/null +++ b/tests/test_readers/data/agilent_csv/RAU-R505-16.D/AcqData/Devices.xml @@ -0,0 +1,16 @@ + + + 1 + + SingleQuadrupole + 7.6.0.0 + 6.00.34 + 5977 + 1 + US1827R022 + 2 + 8 + 0 + 1 + + \ No newline at end of file diff --git a/tests/test_readers/data/agilent_csv/RAU-R505-16.D/AcqData/Janis12min,1minsolventdelay.M/acq.ms b/tests/test_readers/data/agilent_csv/RAU-R505-16.D/AcqData/Janis12min,1minsolventdelay.M/acq.ms new file mode 100644 index 0000000..2fcdc23 --- /dev/null +++ b/tests/test_readers/data/agilent_csv/RAU-R505-16.D/AcqData/Janis12min,1minsolventdelay.M/acq.ms @@ -0,0 +1,146 @@ +[Signature] +ID=00000000000000000000000000000000 + +[Version] +ID=G1701CA Version: C.00.00 + +[General] +Type=6 +Inlet=0 +Start Mode=0 +Run Duration=39000 +Solvent Delay=1 +Tune File=ATUNE.U +Group Ions=1 +Acq Mode=0 +Gauges=2 +Fast Scan=0 +TID=0 +EMSaver=0 + +[Zone 1] +ID=1 +On=1 +Soft Max=200 +Set Point=150 +Type=0 + +[Zone 2] +ID=0 +On=1 +Soft Max=250 +Set Point=230 +Type=0 + +[Zone 3] +ID=-1 +On=0 +Soft Max=0 +Set Point=0 +Type=0 + +[Ions 1] +Group Name=OFN-272-LR +Start Time=4.2 +Resolution=1 +Plot Index 1=0 +Number of Ions=1 +Ion 1=272.00,50 +Group EMV Setting=10 +Use Group EMV Setting=true +IonL1= + +[Scan 1] +Start Time=1 +Low Mass=45 +High Mass=550 +Threshold=150 +Sampling=4 +Low Plot 1= +Low Plot 2= +High Plot 1= +High Plot 2= + +[Scan 2] + +[Scan 3] + +[Filters] +Mass Type=0 +Mass Param=0 +Mass Sigma=0 +Time Type=0 +Time Param=0 +Time Sigma=0 + +[Plot] +Plot Type 1=0 +Time Plot 1=0 +Min Plot 1=0 +Max Plot 1=0 +Left Plot 1=0.000000 +Top Plot 1=0.085653 +Width Plot 1=0.520196 +Height Plot 1=0.625268 +Mode Plot 1=2 +Plot Type 2=2 +Time Plot 2=0 +Min Plot 2=0 +Max Plot 2=0 +Left Plot 2=0.198286 +Top Plot 2=0.197002 +Width Plot 2=0.499388 +Height Plot 2=0.501071 +Mode Plot 2=2 +X Gadget Pos 1=5 +Y Gadget Pos 1=230 +X Gadget Pos 2=130 +Y Gadget Pos 2=230 +Low Mass 1=1.6 +High Mass 1=1050 +Plot Label 1= +Low Mass 2=1.6 +High Mass 2=1050 +Plot Label 2= + +[Gauge1] +Type=2 +ID=1 +Display Type=0 +Left Plot=380 +Top Plot=230 +Alarm Error=100.00 +Alarm Warning=100.00 +Alarm Minimum=0.00 +Alarm Set=0 + +[Gauge2] +Type=2 +ID=0 +Display Type=0 +Left Plot=255 +Top Plot=230 +Alarm Error=100.00 +Alarm Warning=100.00 +Alarm Minimum=0.00 +Alarm Set=0 + + +[Parameters] +ID 1=7 +Mode 1=2 +Value 1=1.000000 +ID 2=-1 +Mode 2=0 +Value 2=0.000000 +[Time Events] +Number Events=0 +[SCIS] +H2FlowRate=0.13 +Emission=10 +SourceTemperature=230 +QuadrupoleTemperature=150 +Duration=1.3 +StabilizationDuration=0.166666666666667 +Filament=2 +Mode=None diff --git a/tests/test_readers/data/agilent_csv/RAU-R505-16.D/AcqData/MSPeak.bin b/tests/test_readers/data/agilent_csv/RAU-R505-16.D/AcqData/MSPeak.bin new file mode 100644 index 0000000..fc50b0d Binary files /dev/null and b/tests/test_readers/data/agilent_csv/RAU-R505-16.D/AcqData/MSPeak.bin differ diff --git a/tests/test_readers/data/agilent_csv/RAU-R505-16.D/AcqData/MSScan.bin b/tests/test_readers/data/agilent_csv/RAU-R505-16.D/AcqData/MSScan.bin new file mode 100644 index 0000000..b72117f Binary files /dev/null and b/tests/test_readers/data/agilent_csv/RAU-R505-16.D/AcqData/MSScan.bin differ diff --git a/tests/test_readers/data/agilent_csv/RAU-R505-16.D/AcqData/MSScan.xsd b/tests/test_readers/data/agilent_csv/RAU-R505-16.D/AcqData/MSScan.xsd new file mode 100644 index 0000000..5157805 --- /dev/null +++ b/tests/test_readers/data/agilent_csv/RAU-R505-16.D/AcqData/MSScan.xsd @@ -0,0 +1,92 @@ + + + + + + + + MSScan binary file index record details + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + diff --git a/tests/test_readers/data/agilent_csv/RAU-R505-16.D/AcqData/MSTS.xml b/tests/test_readers/data/agilent_csv/RAU-R505-16.D/AcqData/MSTS.xml new file mode 100644 index 0000000..3de75d5 --- /dev/null +++ b/tests/test_readers/data/agilent_csv/RAU-R505-16.D/AcqData/MSTS.xml @@ -0,0 +1,14 @@ + + + 3 + + + 0 + + 650 + 2012 + + 0 + + 0 + \ No newline at end of file diff --git a/tests/test_readers/data/agilent_csv/RAU-R505-16.D/AcqData/sample_info.xml b/tests/test_readers/data/agilent_csv/RAU-R505-16.D/AcqData/sample_info.xml new file mode 100644 index 0000000..f3fe364 --- /dev/null +++ b/tests/test_readers/data/agilent_csv/RAU-R505-16.D/AcqData/sample_info.xml @@ -0,0 +1,264 @@ + + 1.0 + + Dilution + Dilution + 1 + 8 + + + + + Inj Vol (µl) + Inj Vol (µl) + 1 + 8 + + + + + Wt/Vol + Wt/Vol + 0 + 8 + + + + + Sample ID + Sample ID + + + 8 + + + + + Sample Name + Sample Name + RAU-R505-16 + 8 + + + + + Sample Position + Sample Position + 17 + 8 + + + + + Sample Type + Sample Type + + + 8 + + + + + Data File + Data File + D:\MassHunter\GCMS\1\data\Elizabeth\B06\24.06.06\RAU-R505-16.D + 8 + + + + + Method + Method + D:\MassHunter\GCMS\1\methods\Janis12min,1minsolventdelay.M + 8 + + + + + Override DA Method + Override DA Method + + + 8 + + + + + Level Name + Level Name + + + 8 + + + + + Comment + Comment + + + 8 + + + + + Balance Override + Balance Override + + + 8 + + + + + Barcode + Barcode + + + 8 + + + + + Equilib Time (min) + Equilib Time (min) + 0 + 8 + + + + + Plate Code + Plate Code + + + 8 + + + + + Plate Position + Plate Position + + + 8 + + + + + Rack Code + Rack Code + + + 8 + + + + + Rack Position + Rack Position + + + 8 + + + + + 12060037305 + Expected Barcode + + + 8 + + + + + 2749154525 + Sample Amount + + + 8 + + + + + 3330437408 + Dual Inj Vol + 1 + 8 + + + + + 4856699492 + TuneName + ATUNE.U + 8 + + + + + 51847816005 + TunePath + D:\MassHunter\GCMS\1\5977\ + 8 + + + + + 6721606188 + TuneDateStamp + 2023-11-20T11:52:13+01:00 + 8 + + + + + 7610559773 + MSFirmwareVersion + 6.00.34 + 8 + + + + + OperatorName + OperatorName + Iris + 8 + + + + + AcqTime + AcqTime + 2024-06-06T20:21:53.3097776+02:00 + 8 + + + + + SampleLockedRunMode + SampleLockedRunMode + False + 8 + + + + + RunCompletedFlag + RunCompletedFlag + True + 8 + + + + + InstrumentName + InstrumentName + 5977B MSD + 8 + + + + \ No newline at end of file diff --git a/tests/test_readers/data/agilent_csv/RAU-R505-16.D/AcqData/sequence.xml b/tests/test_readers/data/agilent_csv/RAU-R505-16.D/AcqData/sequence.xml new file mode 100644 index 0000000..848ea3a --- /dev/null +++ b/tests/test_readers/data/agilent_csv/RAU-R505-16.D/AcqData/sequence.xml @@ -0,0 +1,57 @@ + + + 0 + 0 + Janis12min,1minsolventdelay + D:\MassHunter\GCMS\1\methods\ + + false + + + + RAU-R505-16 + D:\MassHunter\GCMS\1\data\Elizabeth\B06\24.06.06\ + 1 + false + + 17 + 0 + 0 + + 1 + 1 + 5977B MSD + SingleQuadrupole + + + + + false + + 2 + + + + RAU-R505-16 + dummy + + + Sample + + None + None + None + None + + + + + + + + + + + 17 + + \ No newline at end of file diff --git a/tests/test_readers/data/agilent_csv/RAU-R505-16.D/GC.ini b/tests/test_readers/data/agilent_csv/RAU-R505-16.D/GC.ini new file mode 100644 index 0000000..d921e18 --- /dev/null +++ b/tests/test_readers/data/agilent_csv/RAU-R505-16.D/GC.ini @@ -0,0 +1,284 @@ +[7890 DriverItem] +gc.fw=B.02.05.1 +gc.sn=CN18333156 +gc.ready=3 +gc.status=1 +ALS.fr.present=1 +ALS.fr.syringe=10 +ALS.fr.volume=1 +ALS.bk.present=0 +ALS.bk.syringe=-1.79769313486232E+308 +ALS.bk.volume=-1.79769313486232E+308 +ALS.tray.present=1 +ALS.bcr.present=0 +gc.runlength=12.7142857142857 +gc.runtime=12.7136906166561 +gc.postrun=0 +gc.posttime=-1.79769313486232E+308 +gc.pressureunits=1 +Oven.T.state=1 +Oven.T.actual=256.5802367 +Oven.T.setpoint=30 +oven.T.ramp=30,30,4,35,300,1 +inlet.fr.T.state=1 +inlet.fr.T.actual=250.0548701 +inlet.fr.T.setpoint=250 +inlet.fr.column=1 +inlet.bk.T.state=-1.79769313486232E+308 +inlet.bk.T.actual=-1.79769313486232E+308 +inlet.bk.T.setpoint=-1.79769313486232E+308 +inlet.bk.column=-1.79769313486232E+308 +inlet.fr.gas=He +inlet.fr.p.actual=2438154 +inlet.fr.f.actual=10.53494713 +inlet.fr.mode=SPLIT +inlet.fr.splitratio=50 +inlet.bk.gas=!HW Item is not supported +inlet.bk.p.actual=-1.79769313486232E+308 +inlet.bk.f.actual=-1.79769313486232E+308 +inlet.bk.mode=!HW Item is not supported +inlet.bk.splitratio=-1.79769313486232E+308 +Column.1.F.actual=1.077200153 +Column.2.F.actual=1.504810378 +Column.3.F.actual=0 +Column.4.F.actual=0 +Column.5.F.actual=0 +Column.6.F.actual=0 +column.1.L=30 +column.1.D=0.00025 +column.1.t=2.5E-07 +column.1.max=325 +column.1.name=Agilent 19091S-433 +column.1.type=HP-5MS 5% Phenyl Methyl Silox +column.2.L=0.4 +column.2.D=0.0001 +column.2.t=0 +column.2.max=350 +column.2.name= +column.3.L=25 +column.3.D=0.00032 +column.3.t=0 +column.3.max=450 +column.3.name= +column.4.L=25 +column.4.D=0.00032 +column.4.t=0 +column.4.max=450 +column.4.name= +column.5.L=25 +column.5.D=0.00032 +column.5.t=0 +column.5.max=450 +column.5.name= +column.6.L=25 +column.6.D=0.00032 +column.6.t=0 +column.6.max=450 +column.6.name= +Column.1.description.Present=true +Column.1.description.NominalLength=30 +Column.1.description.NominalDiameter=0.00025 +Column.1.description.FilmThickness=2.5E-07 +Column.1.description.InletConnection=FRONT_INLET +Column.1.description.OutletConnection=AUX_PRESSURE_3 +Column.1.description.CalculatedLength=30 +Column.1.description.CalculatedDiameter=0.00025 +Column.1.description.CalibrationMode=UNCALIBRATED +Column.1.description.CalibrationDateTime=2000-01-02T00:00:00 +Column.1.description.ColumnMaxTemp=325 +Column.1.description.Name=Agilent 19091S-433 +Column.1.description.Type=HP-5MS 5% Phenyl Methyl Silox +Column.1.description.SerialNumber=93.92873 +Column.2.description.Present=true +Column.2.description.NominalLength=0.4 +Column.2.description.NominalDiameter=0.0001 +Column.2.description.FilmThickness=0 +Column.2.description.InletConnection=AUX_PRESSURE_3 +Column.2.description.OutletConnection=VACUUM +Column.2.description.CalculatedLength=0.4 +Column.2.description.CalculatedDiameter=0.0001 +Column.2.description.CalibrationMode=UNCALIBRATED +Column.2.description.CalibrationDateTime=2000-01-02T00:00:00 +Column.2.description.ColumnMaxTemp=350 +Column.2.description.Name= +Column.2.description.Type="" +Column.2.description.SerialNumber="" +Column.3.description.Present=true +Column.3.description.NominalLength=25 +Column.3.description.NominalDiameter=0.00032 +Column.3.description.FilmThickness=0 +Column.3.description.InletConnection=NONE +Column.3.description.OutletConnection=NONE +Column.3.description.CalculatedLength=25 +Column.3.description.CalculatedDiameter=0.00032 +Column.3.description.CalibrationMode=UNCALIBRATED +Column.3.description.CalibrationDateTime=2000-01-02T00:00:00 +Column.3.description.ColumnMaxTemp=450 +Column.3.description.Name= +Column.3.description.Type="" +Column.3.description.SerialNumber="" +Column.4.description.Present=true +Column.4.description.NominalLength=25 +Column.4.description.NominalDiameter=0.00032 +Column.4.description.FilmThickness=0 +Column.4.description.InletConnection=NONE +Column.4.description.OutletConnection=NONE +Column.4.description.CalculatedLength=25 +Column.4.description.CalculatedDiameter=0.00032 +Column.4.description.CalibrationMode=UNCALIBRATED +Column.4.description.CalibrationDateTime=2000-01-02T00:00:00 +Column.4.description.ColumnMaxTemp=450 +Column.4.description.Name= +Column.4.description.Type="" +Column.4.description.SerialNumber="" +Column.5.description.Present=true +Column.5.description.NominalLength=25 +Column.5.description.NominalDiameter=0.00032 +Column.5.description.FilmThickness=0 +Column.5.description.InletConnection=NONE +Column.5.description.OutletConnection=NONE +Column.5.description.CalculatedLength=25 +Column.5.description.CalculatedDiameter=0.00032 +Column.5.description.CalibrationMode=UNCALIBRATED +Column.5.description.CalibrationDateTime=2000-01-02T00:00:00 +Column.5.description.ColumnMaxTemp=450 +Column.5.description.Name= +Column.5.description.Type="" +Column.5.description.SerialNumber="" +Column.6.description.Present=true +Column.6.description.NominalLength=25 +Column.6.description.NominalDiameter=0.00032 +Column.6.description.FilmThickness=0 +Column.6.description.InletConnection=NONE +Column.6.description.OutletConnection=NONE +Column.6.description.CalculatedLength=25 +Column.6.description.CalculatedDiameter=0.00032 +Column.6.description.CalibrationMode=UNCALIBRATED +Column.6.description.CalibrationDateTime=2000-01-02T00:00:00 +Column.6.description.ColumnMaxTemp=450 +Column.6.description.Name= +Column.6.description.Type="" +Column.6.description.SerialNumber="" +det.fr.T.state=-1.79769313486232E+308 +det.fr.T.setpoint=-1.79769313486232E+308 +det.fr.T.actual=-1.79769313486232E+308 +det.fr.Signal.actual=-1.79769313486232E+308 +det.fr.Fuel.actual=-1.79769313486232E+308 +det.fr.Utility.actual=-1.79769313486232E+308 +det.fr.makeup.actual=-1.79769313486232E+308 +det.bk.T.state=-1.79769313486232E+308 +det.bk.T.setpoint=-1.79769313486232E+308 +det.bk.T.actual=-1.79769313486232E+308 +det.bk.Signal.actual=-1.79769313486232E+308 +det.bk.Fuel.actual=-1.79769313486232E+308 +det.bk.Utility.actual=-1.79769313486232E+308 +det.bk.makeup.actual=-1.79769313486232E+308 +det.aux.T.state=-1.79769313486232E+308 +det.aux.T.setpoint=-1.79769313486232E+308 +det.aux.T.actual=-1.79769313486232E+308 +det.aux.Signal.actual=-1.79769313486232E+308 +det.aux.Fuel.actual=-1.79769313486232E+308 +det.aux.Utility.actual=-1.79769313486232E+308 +det.aux.makeup.actual=-1.79769313486232E+308 +det.4th.T.state=-1.79769313486232E+308 +det.4th.T.setpoint=-1.79769313486232E+308 +det.4th.T.actual=-1.79769313486232E+308 +det.4th.Signal.actual=-1.79769313486232E+308 +det.4th.Fuel.actual=-1.79769313486232E+308 +det.4th.Utility.actual=-1.79769313486232E+308 +det.4th.makeup.actual=-1.79769313486232E+308 +AuxH.1.T.state=-1.79769313486232E+308 +AuxH.1.T.type=-1.79769313486232E+308 +AuxH.1.T.actual=-1.79769313486232E+308 +AuxH.1.T.setpoint=-1.79769313486232E+308 +AuxH.2.T.state=1 +AuxH.2.T.type=-1.79769313486232E+308 +AuxH.2.T.actual=280.0002806 +AuxH.2.T.setpoint=280 +AuxH.3.T.state=-1.79769313486232E+308 +AuxH.3.T.type=-1.79769313486232E+308 +AuxH.3.T.actual=-1.79769313486232E+308 +AuxH.3.T.setpoint=-1.79769313486232E+308 +rtlpressure=1377294.63663279 +rtlpressure.1=1377294.63663279 +rtlpressure.2=879395.685196652 +rtlpressure.3=-1.79769313486232E+308 +rtlpressure.4=-1.79769313486232E+308 +rtlpressure.5=-1.79769313486232E+308 +rtlpressure.6=-1.79769313486232E+308 +Valve.1.state=0 +Valve.2.state=0 +Valve.3.state=0 +Valve.4.state=0 +Valve.5.state=0 +Valve.6.state=0 +Valve.7.state=0 +Valve.8.state=0 +APC.1.A.P.actual=445252 +APC.1.B.P.actual=11438 +APC.1.C.P.actual=1436934 +APC.2.A.P.actual=-1.79769313486232E+308 +APC.2.B.P.actual=-1.79769313486232E+308 +APC.2.C.P.actual=-1.79769313486232E+308 +APC.3.A.P.actual=-1.79769313486232E+308 +APC.3.B.P.actual=-1.79769313486232E+308 +APC.3.C.P.actual=-1.79769313486232E+308 +APC.1.A.P.setpoint=689475.7 +APC.1.B.P.setpoint=689475.7 +APC.1.C.P.setpoint=879395.6852 +APC.2.A.P.setpoint=-1.79769313486232E+308 +APC.2.B.P.setpoint=-1.79769313486232E+308 +APC.2.C.P.setpoint=-1.79769313486232E+308 +APC.3.A.P.setpoint=-1.79769313486232E+308 +APC.3.B.P.setpoint=-1.79769313486232E+308 +APC.3.C.P.setpoint=-1.79769313486232E+308 +APC.1.A.gas=He +APC.1.B.gas=He +APC.1.C.gas=He +APC.2.A.gas=!HW Item is not supported +APC.2.B.gas=!HW Item is not supported +APC.2.C.gas=!HW Item is not supported +APC.3.A.gas=!HW Item is not supported +APC.3.B.gas=!HW Item is not supported +APC.3.C.gas=!HW Item is not supported +pcm.1.a.P.setpoint=-1.79769313486232E+308 +pcm.1.b.P.setpoint=-1.79769313486232E+308 +pcm.2.a.P.setpoint=-1.79769313486232E+308 +pcm.2.b.P.setpoint=-1.79769313486232E+308 +pcm.3.a.P.setpoint=-1.79769313486232E+308 +pcm.3.b.P.setpoint=-1.79769313486232E+308 +pcm.1.a.P.actual=-1.79769313486232E+308 +pcm.1.b.P.actual=-1.79769313486232E+308 +pcm.2.a.P.actual=-1.79769313486232E+308 +pcm.2.b.P.actual=-1.79769313486232E+308 +pcm.3.a.P.actual=-1.79769313486232E+308 +pcm.3.b.P.actual=-1.79769313486232E+308 +pcm.1.a.F.actual=-1.79769313486232E+308 +pcm.1.b.F.actual=-1.79769313486232E+308 +pcm.2.a.F.actual=-1.79769313486232E+308 +pcm.2.b.F.actual=-1.79769313486232E+308 +pcm.3.a.F.actual=-1.79769313486232E+308 +pcm.3.b.F.actual=-1.79769313486232E+308 +pcm.1.a.gas=-1.79769313486232E+308 +pcm.1.b.gas=-1.79769313486232E+308 +pcm.2.a.gas=-1.79769313486232E+308 +pcm.2.b.gas=-1.79769313486232E+308 +pcm.3.a.gas=-1.79769313486232E+308 +pcm.3.b.gas=-1.79769313486232E+308 +AuxP.1.P.actual=445225 +AuxP.2.P.actual=11443 +AuxP.3.P.actual=1418996 +AuxP.4.P.actual=-1.79769313486232E+308 +AuxP.5.P.actual=-1.79769313486232E+308 +AuxP.6.P.actual=-1.79769313486232E+308 +AuxP.7.P.actual=-1.79769313486232E+308 +AuxP.8.P.actual=-1.79769313486232E+308 +AuxP.9.P.actual=-1.79769313486232E+308 +Parameter name: APC.3.C.gas +Parameter name: APC.3.B.gas +Parameter name: APC.3.A.gas +Parameter name: APC.2.C.gas +Parameter name: APC.2.B.gas +Parameter name: APC.2.A.gas +Parameter name: inlet.bk.mode +Parameter name: inlet.bk.gas diff --git a/tests/test_readers/data/agilent_csv/RAU-R505-16.D/PRE_POST.INI b/tests/test_readers/data/agilent_csv/RAU-R505-16.D/PRE_POST.INI new file mode 100644 index 0000000..d245f0a --- /dev/null +++ b/tests/test_readers/data/agilent_csv/RAU-R505-16.D/PRE_POST.INI @@ -0,0 +1,115 @@ +[POSTRUN] +SOURCE=MS +Application=MassHunter GC/MS Acquisition B.07.06.2704 18-Jul-2017 Copyright © 1989-2017 Agilent Technologies, Inc. +Date=Thu Jun 06 20:34:40 2024 +SampleAmount=0 +Multiplier=1 +SmartCard=AGILENT TECHNOLOGIES,5977,US1827R022,6.00.34 +serial_n=US1827R022 +acqmode=0 +TuneName=ATUNE.U +TunePath=D:\MassHunter\GCMS\1\5977\ +TuneDate=20 Nov 2023 11:52 am +CImode=0 +CIpolarity=0 +SourceTemp=230 +QuadTemp=150 +Pressure=1.10E-05 +Matrix=1 +InitialAmt=1 +FinalAmt=1 +PrimaryFile=\data.ms +PrimaryType=hgfile +DataRecord=REV2:PARAFIT3 +SourceConf=101 +Observedm1=68.9963994372028 +Observedm2=218.954766989366 +Observedm3=502.003028423966 +Instrument Name=5977B MSD +controller=Top Sequence +timestamp=MS ChemStation +[Scan Parameters] +scanstart1=1 +lowmass1=45 +highmass1=550 +[TuneValues] +massgain=53 +massoffset=-26 +amugain=2335 +amuoffset=134.25 +dcpolarity=0 +emission=34.592541048648 +electron=70.0073246658121 +emvolts=1180.00366233291 +ACTUAL_EMVOLTS=1164.1 +GAIN FACTOR= 1.00 +entrance_lens=22.6722032242306 +filament=1 +ionfocus=90.3308509339519 +repeller=19.7593791966793 +entlensoffset=14.1102429495788 +[MS_Faults] +NUM_MS_Faults=0 +[firmware] +MSSC=6.00.34 +BSP=1.2/27.16T +HTTP=0.1 +LUI=04.32A.20160325 +[Type] +Type=1 +MHAcq=1 +[Sequence] +_methpath$=D:\MassHunter\GCMS\1\methods\ +_methfile$=Janis12min,1minsolventdelay.M +SeqFileName=D:\MassHunter\GCMS\1\sequence\IrisH.sequence.xml +[HW Config] +Smartcard=SC3.3 (SC33,40.0,32M,0K,64M,0x3722) +Sideboard=5975HI_SIDEBOARD +Log Amplifier=LOG02,121,54,2,CAL,y618051086 +Vacuum Pump=TURBO_PUMP +Vacuum Guage=HIVACGAUGE +CI Flow Control=NO_FCB +HES Driver PCA=SRC_PCA_TYPE_UNK +[Factors] +Mist=20 +Scan=NORM +A/Ds=16.00 +AVG.=1 +Samp=4 +Step=0.03 +Filter=Mass:ISTD +Qual=PARAFIT3 +SimSampPer=16 +Madly=800,9 +5975NoiseReduction=1 +5975EMSaver=-1 +LagFactors=-0.0285:8e-05:0 +tbyrst=40 +mbyrst=40 +tdomain=COEF,1.000000 +mdomain=-0.005964,-0.016017,0.008343,0.108516,0.247621 +[GainCoefficients] +Squared_=16.922441816685 +Linear__=48.3105062581599 +Constant=499.506255040877 +[Injection] +Tower=0 +F. SyringeVolume=10 +F. MethodVolume=1 +F. OverrideVolume=0 +R. SyringeVolume=0 +R. MethodVolume=0 +R. OverrideVolume=0 +Maxvial-1=150 +Maxvial-2=0 +Maxvial-3=0 +method specified sample prep= +[FC_VGauge] +CI=NO_FCB +Gauge=HIVACGAUGE +Pressure=1.11E-05 +[Compliance] +_iscompliant=0 +_isRandR=0 +_isSecureFS=0 +_isSecureRemoteFS=0 diff --git a/tests/test_readers/data/agilent_csv/RAU-R505-16.D/RESULTS.CSV b/tests/test_readers/data/agilent_csv/RAU-R505-16.D/RESULTS.CSV new file mode 100644 index 0000000..d10ee9b --- /dev/null +++ b/tests/test_readers/data/agilent_csv/RAU-R505-16.D/RESULTS.CSV @@ -0,0 +1,11 @@ +[contents] +count=1 +Name=,D:\MassHunter\GCMS\1\data\Elizabeth\B06\24.06.06\RAU-R505-16.D +1=,INT TIC: RAU-R505-16.D\data.ms +[INT TIC: RAU-R505-16.D\data.ms] +Time=,Fri Jun 07 09:41:46 2024 +Header=,"Peak","R.T.","First","Max","Last","PK TY","Height","Area","Pct Max","Pct Total" +1=, 1, 6.066, 858, 862, 874," M ", 198087, 2647352, 3.83, 3.179 +2=, 2, 6.301, 899, 903, 913," M ",1254811, 9553816, 13.81, 11.473 +3=, 3, 10.154, 1568,1570,1574," M ", 229665, 1901269, 2.75, 2.283 +4=, 4, 10.288, 1590,1593,1601," M ",8687627, 69168232,100.00, 83.064 diff --git a/tests/test_readers/data/agilent_csv/RAU-R505-16.D/TEMPBASE b/tests/test_readers/data/agilent_csv/RAU-R505-16.D/TEMPBASE new file mode 100644 index 0000000..e69de29 diff --git a/tests/test_readers/data/agilent_csv/RAU-R505-16.D/acqmeth.txt b/tests/test_readers/data/agilent_csv/RAU-R505-16.D/acqmeth.txt new file mode 100644 index 0000000..2694957 Binary files /dev/null and b/tests/test_readers/data/agilent_csv/RAU-R505-16.D/acqmeth.txt differ diff --git a/tests/test_readers/data/agilent_csv/RAU-R505-16.D/checksum.xml b/tests/test_readers/data/agilent_csv/RAU-R505-16.D/checksum.xml new file mode 100644 index 0000000..9a7b9f8 --- /dev/null +++ b/tests/test_readers/data/agilent_csv/RAU-R505-16.D/checksum.xml @@ -0,0 +1,7 @@ + + + +
+ 33-C1-E6-F7-42-FC-4F-FC-3A-88-52-23-6B-B5-1F-4D-14-A6-7D-0F-48-32-F0-DA-9F-69-29-78-FD-C7-C5-73-3A-38-E7-98-41-DE-82-D2-84-CB-91-4B-6A-22-48-B1-4E-A7-90-26-65-8B-8D-C1-7F-F9-FC-71-A9-E2-D0-7F +
+ \ No newline at end of file diff --git a/tests/test_readers/data/agilent_csv/RAU-R505-16.D/data.ms b/tests/test_readers/data/agilent_csv/RAU-R505-16.D/data.ms new file mode 100644 index 0000000..1dc099e Binary files /dev/null and b/tests/test_readers/data/agilent_csv/RAU-R505-16.D/data.ms differ diff --git a/tests/test_readers/data/agilent_csv/RAU-R505-16.D/rteres.txt b/tests/test_readers/data/agilent_csv/RAU-R505-16.D/rteres.txt new file mode 100644 index 0000000..7f42dc2 --- /dev/null +++ b/tests/test_readers/data/agilent_csv/RAU-R505-16.D/rteres.txt @@ -0,0 +1,30 @@ + Area Percent Report + + Data Path : D:\MassHunter\GCMS\1\data\Elizabeth\B06\24.06.06\ + Data File : RAU-R505-16.D + Acq On : 06 Jun 2024 20:21 + Operator : Iris + Sample : RAU-R505-16 + Misc : + ALS Vial : 17 Sample Multiplier: 1 + + Integration Parameters: autoint1.e + Integrator: ChemStation + + Method : D:\MassHunter\GCMS\1\methods\Janis12min.M + Title : + + Signal : TIC: RAU-R505-16.D\data.ms + + peak R.T. first max last PK peak corr. corr. % of + # min scan scan scan TY height area % max. total + --- ----- ----- ---- ---- --- ------- ------- ------ ------- + 1 6.066 858 862 874 M 198087 2647352 3.83% 3.179% + 2 6.301 899 903 913 M 1254811 9553816 13.81% 11.473% + 3 10.154 1568 1570 1574 M 229665 1901269 2.75% 2.283% + 4 10.288 1590 1593 1601 M 8687627 69168232 100.00% 83.064% + + + Sum of corrected areas: 83270668 + +Janis12min.M Fri Jun 07 09:41:46 2024 diff --git a/tests/test_readers/data/agilent_csv/RAU-R505-16.D/runstart.txt b/tests/test_readers/data/agilent_csv/RAU-R505-16.D/runstart.txt new file mode 100644 index 0000000..e2f7ed8 --- /dev/null +++ b/tests/test_readers/data/agilent_csv/RAU-R505-16.D/runstart.txt @@ -0,0 +1,64 @@ + Critical RunStart CP Variables + +CP Variable = Value + + Front Injector Available(_turretfrontavail) = 1 + Rear Injector Available(_turretrearavail) = 0 + Dual Injector Available(_turretdualavail) = 0 + + Injection Source(_injsource) = 1 1,2,3,4,5,6=ALS,Man,Valve,Ext.,PAL,HS,MiniTD + _injloc (_injloc) = 1 + MSD Sample(_msinlet) = 1 1,2=sample1=Front,sample2=Rear + + _ptavail : 1 _dopretreat : 0 _pretreatpath$ : D:\MassHunter\GCMS\1\PreTreat\ + _pretreatfile$ : _pretreatmeth$ : + + _Overlapped _overlap _ALSNEXT, _ALSNEXT2, _Lastlap 0 0 0 0 1 + +_overlapped: Is method currently overlapping? 0 +_overlap: Is hw capable of overlapping? 0 +_alsnext: Next vial front inlet? 0 +_lastlap: Indicator for last entry in SLT 1 + + _seqcheckbar: 0 On Mismatch, Inject Anyway + _seqcheckbarnext: 0 + Expected BCs : 2: + + Next Expected BCs : 2: + + Previous _checkbar : 0 + Previous _barmismatch: 0 + +_maxvial[] 1=150 2=0 3=0 + +Front Sample + + Alsbottle (_alsbottle) = 17 + Methfile (_methfile$) = Janis12min,1minsolventdelay.M + Datafile(,_datafile$) = RAU-R505-16.D + Sample Name (_dataname$) = RAU-R505-16 + Exp. Barcode(_expbarcode$)= + Miscellaneous (_miscinfo$) = + Vol. Override (_injvol) = 0 + Method Volume (_methvol) = 1 + SyringeVolume (_syrvol) = 10 + SyringeVolLow (_syrvollow) = 0 + Multiplier (_multiplr) = 1 + Sample Amt (_sampamt) = 0 + + +Rear Sample + + Alsbottle(_alsbottle2) = 0 + Datafile(_datafile2$) = RAU-R505-16.D + Sample Name(_dataname2$) = RAU-R505-16 + Exp. Barcode(_expbarcode2$) = + Miscellaneous(_miscinfo2$) = + Vol. Override(_injvol2) = 0 + Method Volume(_methvol2) = 0 + SyringeVolume(_syrvol2) = 0 + SyringeVolLow(_syrvollow2) = 0 + Multiplier(_multiplr2) = 1 + Sample Amt(_sampamt2) = 0 + +Thu Jun 06 20:13:14 2024 diff --git a/tests/test_readers/data/agilent_csv/RAU-R505-16.D/tic_front.csv b/tests/test_readers/data/agilent_csv/RAU-R505-16.D/tic_front.csv new file mode 100644 index 0000000..d17eacf --- /dev/null +++ b/tests/test_readers/data/agilent_csv/RAU-R505-16.D/tic_front.csv @@ -0,0 +1,2014 @@ +D:\MassHunter\GCMS\1\data\Elizabeth\B06\24.06.06\RAU-R505-16.D 06 Jun 24 08:21 pm +Start of data points +1.09283,28163044 +1.09862,27732440 +1.10438,26660034 +1.11017,26080210 +1.11593,25351644 +1.12172,24816656 +1.12748,24382844 +1.13327,23750932 +1.13903,23281826 +1.14482,22917156 +1.15058,23066064 +1.15637,25912910 +1.16213,654164 +1.16792,523394 +1.17368,467027 +1.17947,443631 +1.18525,494430 +1.19102,663820 +1.1968,983733 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XX X XXX XX XXXXXXX XX X XX + XX XX XX XX XX XX XX + XXXX XXX XXX XXXXX XXX XXX + + + + XXXXXX X X XX + XX X XX XX + XX XXXXX XXXXX XXXXX XXX XXXX XX XXX + XXXXX XX X XX XX XX XX XXX XX + XX XX XXXXXX XX XX XX XX XX XX + X XX XX XX X XX XX XX XX XX XX XX XX + XXXXXX XXX XXXXX X XXX XXXX XXXX XX XX + + + + X + XX XXX XXXXX XX XXX XXXX XX XXX XXXXX + XXX XX XX X XX XX XX XX XXX XX XX + XX XXXXXXX XX XX XX XX XX XX + XX XX XXXXX XX XX XX XX XX + XXXX XXXXX XX XXXX XXXX XXX + XXXX + + + + XXX XXX + XX XX + XX XXXXX XXXXX XX XXXXX XX XXX + XX XXX XX X X XXXXX XX X XXX XX + XXX XX XXXXXXX XXXXXX XX XX XXXXXXX XX + XX XX XX X XX XX XX XX XX + XXX XXX XXXXX XXXXX X XXXX X XXXXX XXXX + + + + X XXX X + XX XX XX + XXXXX XXXXX XXX XX XX XXX XX XXXXX XXXXX XXXXX + XX XX X XX X XX XX XX XX X XX XX X + XX XXXXXXX XX X XX XX XX XX XXXXXX XX XXXXXXX + XX XX XX XX XX XXXXX XX X XX XX XX XX + XXX XXXXX XXX XXX XX XXXX XXXXX X XXX XXXXX + XXXX + + + + + diff --git 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b/tests/test_readers/data/agilent_txt/001F0102.D/DA.M/INFO.MTH differ diff --git a/tests/test_readers/data/agilent_txt/001F0102.D/DA.M/INJECTOR.MTH b/tests/test_readers/data/agilent_txt/001F0102.D/DA.M/INJECTOR.MTH new file mode 100644 index 0000000..0063e0d --- /dev/null +++ b/tests/test_readers/data/agilent_txt/001F0102.D/DA.M/INJECTOR.MTH @@ -0,0 +1,3 @@ +[Injector] +_InjectionSource$=Valve +_MethodInjectors=1 diff --git a/tests/test_readers/data/agilent_txt/001F0102.D/DA.M/RECALIB.MTH b/tests/test_readers/data/agilent_txt/001F0102.D/DA.M/RECALIB.MTH new file mode 100644 index 0000000..144d198 Binary files /dev/null and b/tests/test_readers/data/agilent_txt/001F0102.D/DA.M/RECALIB.MTH differ diff --git a/tests/test_readers/data/agilent_txt/001F0102.D/DA.M/RapidControl.InstrumentConfig.xml b/tests/test_readers/data/agilent_txt/001F0102.D/DA.M/RapidControl.InstrumentConfig.xml new file mode 100644 index 0000000..ebe4736 --- /dev/null +++ b/tests/test_readers/data/agilent_txt/001F0102.D/DA.M/RapidControl.InstrumentConfig.xml @@ -0,0 +1,21 @@ + + + + + + LAN_IP +
192.168.0.2
+ 9100 + false +
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XX X XXX XX XXXXXXX XX X XX + XX XX XX XX XX XX XX + XXXX XXX XXX XXXXX XXX XXX + + + + XXXXXX X X XX + XX X XX XX + XX XXXXX XXXXX XXXXX XXX XXXX XX XXX + XXXXX XX X XX XX XX XX XXX XX + XX XX XXXXXX XX XX XX XX XX XX + X XX XX XX X XX XX XX XX XX XX XX XX + XXXXXX XXX XXXXX X XXX XXXX XXXX XX XX + + + + X + XX XXX XXXXX XX XXX XXXX XX XXX XXXXX + XXX XX XX X XX XX XX XX XXX XX XX + XX XXXXXXX XX XX XX XX XX XX + XX XX XXXXX XX XX XX XX XX + XXXX XXXXX XX XXXX XXXX XXX + XXXX + + + + XXX XXX + XX XX + XX XXXXX XXXXX XX XXXXX XX XXX + XX XXX XX X X XXXXX XX X XXX XX + XXX XX XXXXXXX XXXXXX XX XX XXXXXXX XX + XX XX XX X XX XX XX XX XX + XXX XXX XXXXX XXXXX X XXXX X XXXXX XXXX + + + + X XXX X + XX XX XX + XXXXX XXXXX XXX XX XX XXX XX XXXXX XXXXX XXXXX + XX XX X XX X XX XX XX XX X XX XX X + XX XXXXXXX XX X XX XX XX XX XXXXXX XX XXXXXXX + XX XX XX XX XX XXXXX XX X XX XX XX XX + XXX XXXXX XXX XXX XX XXXX XXXXX X XXX XXXXX + XXXX + + + + + diff --git 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b/tests/test_readers/data/agilent_txt/001F0103.D/DA.M/AGILENT/HP6890GC1.RapidControl.MethodMetaData.xml differ diff --git a/tests/test_readers/data/agilent_txt/001F0103.D/DA.M/AGILENT/HP6890GC1.RapidControl.MethodXML.xml b/tests/test_readers/data/agilent_txt/001F0103.D/DA.M/AGILENT/HP6890GC1.RapidControl.MethodXML.xml new file mode 100644 index 0000000..dcdc3dc Binary files /dev/null and b/tests/test_readers/data/agilent_txt/001F0103.D/DA.M/AGILENT/HP6890GC1.RapidControl.MethodXML.xml differ diff --git a/tests/test_readers/data/agilent_txt/001F0103.D/DA.M/DAMETHOD.REG b/tests/test_readers/data/agilent_txt/001F0103.D/DA.M/DAMETHOD.REG new file mode 100644 index 0000000..19e9805 Binary files /dev/null and b/tests/test_readers/data/agilent_txt/001F0103.D/DA.M/DAMETHOD.REG differ diff --git a/tests/test_readers/data/agilent_txt/001F0103.D/DA.M/INFO.MTH b/tests/test_readers/data/agilent_txt/001F0103.D/DA.M/INFO.MTH new file mode 100644 index 0000000..d9d38b7 Binary files /dev/null and b/tests/test_readers/data/agilent_txt/001F0103.D/DA.M/INFO.MTH differ diff --git a/tests/test_readers/data/agilent_txt/001F0103.D/DA.M/INJECTOR.MTH b/tests/test_readers/data/agilent_txt/001F0103.D/DA.M/INJECTOR.MTH new file mode 100644 index 0000000..0063e0d --- /dev/null +++ b/tests/test_readers/data/agilent_txt/001F0103.D/DA.M/INJECTOR.MTH @@ -0,0 +1,3 @@ +[Injector] +_InjectionSource$=Valve +_MethodInjectors=1 diff --git a/tests/test_readers/data/agilent_txt/001F0103.D/DA.M/RECALIB.MTH b/tests/test_readers/data/agilent_txt/001F0103.D/DA.M/RECALIB.MTH new file mode 100644 index 0000000..144d198 Binary files /dev/null and b/tests/test_readers/data/agilent_txt/001F0103.D/DA.M/RECALIB.MTH differ diff --git a/tests/test_readers/data/agilent_txt/001F0103.D/DA.M/RapidControl.InstrumentConfig.xml b/tests/test_readers/data/agilent_txt/001F0103.D/DA.M/RapidControl.InstrumentConfig.xml new file mode 100644 index 0000000..ebe4736 --- /dev/null +++ b/tests/test_readers/data/agilent_txt/001F0103.D/DA.M/RapidControl.InstrumentConfig.xml @@ -0,0 +1,21 @@ + + + + + + LAN_IP +
192.168.0.2
+ 9100 + false +
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b/tests/test_readers/data/agilent_txt/001F0104.D/DA.M/INFO.MTH differ diff --git a/tests/test_readers/data/agilent_txt/001F0104.D/DA.M/INJECTOR.MTH b/tests/test_readers/data/agilent_txt/001F0104.D/DA.M/INJECTOR.MTH new file mode 100644 index 0000000..0063e0d --- /dev/null +++ b/tests/test_readers/data/agilent_txt/001F0104.D/DA.M/INJECTOR.MTH @@ -0,0 +1,3 @@ +[Injector] +_InjectionSource$=Valve +_MethodInjectors=1 diff --git a/tests/test_readers/data/agilent_txt/001F0104.D/DA.M/RECALIB.MTH b/tests/test_readers/data/agilent_txt/001F0104.D/DA.M/RECALIB.MTH new file mode 100644 index 0000000..144d198 Binary files /dev/null and b/tests/test_readers/data/agilent_txt/001F0104.D/DA.M/RECALIB.MTH differ diff --git a/tests/test_readers/data/agilent_txt/001F0104.D/DA.M/RapidControl.InstrumentConfig.xml b/tests/test_readers/data/agilent_txt/001F0104.D/DA.M/RapidControl.InstrumentConfig.xml new file mode 100644 index 0000000..ebe4736 --- /dev/null +++ b/tests/test_readers/data/agilent_txt/001F0104.D/DA.M/RapidControl.InstrumentConfig.xml @@ -0,0 +1,21 @@ + + + + + + LAN_IP +
192.168.0.2
+ 9100 + false +
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b/tests/test_readers/data/agilent_txt/001F0105.D/DA.M/INFO.MTH differ diff --git a/tests/test_readers/data/agilent_txt/001F0105.D/DA.M/INJECTOR.MTH b/tests/test_readers/data/agilent_txt/001F0105.D/DA.M/INJECTOR.MTH new file mode 100644 index 0000000..0063e0d --- /dev/null +++ b/tests/test_readers/data/agilent_txt/001F0105.D/DA.M/INJECTOR.MTH @@ -0,0 +1,3 @@ +[Injector] +_InjectionSource$=Valve +_MethodInjectors=1 diff --git a/tests/test_readers/data/agilent_txt/001F0105.D/DA.M/RECALIB.MTH b/tests/test_readers/data/agilent_txt/001F0105.D/DA.M/RECALIB.MTH new file mode 100644 index 0000000..144d198 Binary files /dev/null and b/tests/test_readers/data/agilent_txt/001F0105.D/DA.M/RECALIB.MTH differ diff --git a/tests/test_readers/data/agilent_txt/001F0105.D/DA.M/RapidControl.InstrumentConfig.xml b/tests/test_readers/data/agilent_txt/001F0105.D/DA.M/RapidControl.InstrumentConfig.xml new file mode 100644 index 0000000..ebe4736 --- /dev/null +++ b/tests/test_readers/data/agilent_txt/001F0105.D/DA.M/RapidControl.InstrumentConfig.xml @@ -0,0 +1,21 @@ + + + + + + LAN_IP +
192.168.0.2
+ 9100 + false +
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b/tests/test_readers/data/agilent_txt/001F0106.D/DA.M/DAMETHOD.REG differ diff --git a/tests/test_readers/data/agilent_txt/001F0106.D/DA.M/INFO.MTH b/tests/test_readers/data/agilent_txt/001F0106.D/DA.M/INFO.MTH new file mode 100644 index 0000000..d9d38b7 Binary files /dev/null and b/tests/test_readers/data/agilent_txt/001F0106.D/DA.M/INFO.MTH differ diff --git a/tests/test_readers/data/agilent_txt/001F0106.D/DA.M/INJECTOR.MTH b/tests/test_readers/data/agilent_txt/001F0106.D/DA.M/INJECTOR.MTH new file mode 100644 index 0000000..0063e0d --- /dev/null +++ b/tests/test_readers/data/agilent_txt/001F0106.D/DA.M/INJECTOR.MTH @@ -0,0 +1,3 @@ +[Injector] +_InjectionSource$=Valve +_MethodInjectors=1 diff --git a/tests/test_readers/data/agilent_txt/001F0106.D/DA.M/RECALIB.MTH b/tests/test_readers/data/agilent_txt/001F0106.D/DA.M/RECALIB.MTH new file mode 100644 index 0000000..144d198 Binary files /dev/null and b/tests/test_readers/data/agilent_txt/001F0106.D/DA.M/RECALIB.MTH differ diff --git 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192.168.0.2
+ 9100 + false +
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XX X XXX XX XXXXXXX XX X XX + XX XX XX XX XX XX XX + XXXX XXX XXX XXXXX XXX XXX + + + + XXXXXX X X XX + XX X XX XX + XX XXXXX XXXXX XXXXX XXX XXXX XX XXX + XXXXX XX X XX XX XX XX XXX XX + XX XX XXXXXX XX XX XX XX XX XX + X XX XX XX X XX XX XX XX XX XX XX XX + XXXXXX XXX XXXXX X XXX XXXX XXXX XX XX + + + + X + XX XXX XXXXX XX XXX XXXX XX XXX XXXXX + XXX XX XX X XX XX XX XX XXX XX XX + XX XXXXXXX XX XX XX XX XX XX + XX XX XXXXX XX XX XX XX XX + XXXX XXXXX XX XXXX XXXX XXX + XXXX + + + + XXX XXX + XX XX + XX XXXXX XXXXX XX XXXXX XX XXX + XX XXX XX X X XXXXX XX X XXX XX + XXX XX XXXXXXX XXXXXX XX XX XXXXXXX XX + XX XX XX X XX XX XX XX XX + XXX XXX XXXXX XXXXX X XXXX X XXXXX XXXX + + + + X XXX X + XX XX XX + XXXXX XXXXX XXX XX XX XXX XX XXXXX XXXXX XXXXX + XX XX X XX X XX XX XX XX X XX XX X + XX XXXXXXX XX X XX XX XX XX XXXXXX XX XXXXXXX + XX XX XX XX XX XXXXX XX X XX XX XX XX + XXX XXXXX XXX XXX XX XXXX XXXXX X XXX XXXXX + XXXX + + + + + diff --git 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b/tests/test_readers/data/agilent_txt/001F0107.D/DA.M/INFO.MTH differ diff --git a/tests/test_readers/data/agilent_txt/001F0107.D/DA.M/INJECTOR.MTH b/tests/test_readers/data/agilent_txt/001F0107.D/DA.M/INJECTOR.MTH new file mode 100644 index 0000000..0063e0d --- /dev/null +++ b/tests/test_readers/data/agilent_txt/001F0107.D/DA.M/INJECTOR.MTH @@ -0,0 +1,3 @@ +[Injector] +_InjectionSource$=Valve +_MethodInjectors=1 diff --git a/tests/test_readers/data/agilent_txt/001F0107.D/DA.M/RECALIB.MTH b/tests/test_readers/data/agilent_txt/001F0107.D/DA.M/RECALIB.MTH new file mode 100644 index 0000000..144d198 Binary files /dev/null and b/tests/test_readers/data/agilent_txt/001F0107.D/DA.M/RECALIB.MTH differ diff --git a/tests/test_readers/data/agilent_txt/001F0107.D/DA.M/RapidControl.InstrumentConfig.xml b/tests/test_readers/data/agilent_txt/001F0107.D/DA.M/RapidControl.InstrumentConfig.xml new file mode 100644 index 0000000..ebe4736 --- /dev/null +++ b/tests/test_readers/data/agilent_txt/001F0107.D/DA.M/RapidControl.InstrumentConfig.xml @@ -0,0 +1,21 @@ + + + + + + LAN_IP +
192.168.0.2
+ 9100 + false +
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XX X XXX XX XXXXXXX XX X XX + XX XX XX XX XX XX XX + XXXX XXX XXX XXXXX XXX XXX + + + + XXXXXX X X XX + XX X XX XX + XX XXXXX XXXXX XXXXX XXX XXXX XX XXX + XXXXX XX X XX XX XX XX XXX XX + XX XX XXXXXX XX XX XX XX XX XX + X XX XX XX X XX XX XX XX XX XX XX XX + XXXXXX XXX XXXXX X XXX XXXX XXXX XX XX + + + + X + XX XXX XXXXX XX XXX XXXX XX XXX XXXXX + XXX XX XX X XX XX XX XX XXX XX XX + XX XXXXXXX XX XX XX XX XX XX + XX XX XXXXX XX XX XX XX XX + XXXX XXXXX XX XXXX XXXX XXX + XXXX + + + + XXX XXX + XX XX + XX XXXXX XXXXX XX XXXXX XX XXX + XX XXX XX X X XXXXX XX X XXX XX + XXX XX XXXXXXX XXXXXX XX XX XXXXXXX XX + XX XX XX X XX XX XX XX XX + XXX XXX XXXXX XXXXX X XXXX X XXXXX XXXX + + + + X XXX X + XX XX XX + XXXXX XXXXX XXX XX XX XXX XX XXXXX XXXXX XXXXX + XX XX X XX X XX XX XX XX X XX XX X + XX XXXXXXX XX X XX XX XX XX XXXXXX XX XXXXXXX + XX XX XX XX XX XXXXX XX X XX XX XX XX + XXX XXXXX XXX XXX XX XXXX XXXXX X XXX XXXXX + XXXX + + + + + diff --git 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b/tests/test_readers/data/agilent_txt/001F0108.D/DA.M/AGILENT/HP6890GC1.RapidControl.MethodMetaData.xml differ diff --git a/tests/test_readers/data/agilent_txt/001F0108.D/DA.M/AGILENT/HP6890GC1.RapidControl.MethodXML.xml b/tests/test_readers/data/agilent_txt/001F0108.D/DA.M/AGILENT/HP6890GC1.RapidControl.MethodXML.xml new file mode 100644 index 0000000..dcdc3dc Binary files /dev/null and b/tests/test_readers/data/agilent_txt/001F0108.D/DA.M/AGILENT/HP6890GC1.RapidControl.MethodXML.xml differ diff --git a/tests/test_readers/data/agilent_txt/001F0108.D/DA.M/DAMETHOD.REG b/tests/test_readers/data/agilent_txt/001F0108.D/DA.M/DAMETHOD.REG new file mode 100644 index 0000000..2bc1d3a Binary files /dev/null and b/tests/test_readers/data/agilent_txt/001F0108.D/DA.M/DAMETHOD.REG differ diff --git a/tests/test_readers/data/agilent_txt/001F0108.D/DA.M/INFO.MTH b/tests/test_readers/data/agilent_txt/001F0108.D/DA.M/INFO.MTH new file mode 100644 index 0000000..d9d38b7 Binary files /dev/null and b/tests/test_readers/data/agilent_txt/001F0108.D/DA.M/INFO.MTH differ diff --git a/tests/test_readers/data/agilent_txt/001F0108.D/DA.M/INJECTOR.MTH b/tests/test_readers/data/agilent_txt/001F0108.D/DA.M/INJECTOR.MTH new file mode 100644 index 0000000..0063e0d --- /dev/null +++ b/tests/test_readers/data/agilent_txt/001F0108.D/DA.M/INJECTOR.MTH @@ -0,0 +1,3 @@ +[Injector] +_InjectionSource$=Valve +_MethodInjectors=1 diff --git a/tests/test_readers/data/agilent_txt/001F0108.D/DA.M/RECALIB.MTH b/tests/test_readers/data/agilent_txt/001F0108.D/DA.M/RECALIB.MTH new file mode 100644 index 0000000..144d198 Binary files /dev/null and b/tests/test_readers/data/agilent_txt/001F0108.D/DA.M/RECALIB.MTH differ diff --git a/tests/test_readers/data/agilent_txt/001F0108.D/DA.M/RapidControl.InstrumentConfig.xml b/tests/test_readers/data/agilent_txt/001F0108.D/DA.M/RapidControl.InstrumentConfig.xml new file mode 100644 index 0000000..ebe4736 --- /dev/null +++ b/tests/test_readers/data/agilent_txt/001F0108.D/DA.M/RapidControl.InstrumentConfig.xml @@ -0,0 +1,21 @@ + + + + + + LAN_IP +
192.168.0.2
+ 9100 + false +
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b/tests/test_readers/data/agilent_txt/001F0109.D/DA.M/INFO.MTH differ diff --git a/tests/test_readers/data/agilent_txt/001F0109.D/DA.M/INJECTOR.MTH b/tests/test_readers/data/agilent_txt/001F0109.D/DA.M/INJECTOR.MTH new file mode 100644 index 0000000..0063e0d --- /dev/null +++ b/tests/test_readers/data/agilent_txt/001F0109.D/DA.M/INJECTOR.MTH @@ -0,0 +1,3 @@ +[Injector] +_InjectionSource$=Valve +_MethodInjectors=1 diff --git a/tests/test_readers/data/agilent_txt/001F0109.D/DA.M/RECALIB.MTH b/tests/test_readers/data/agilent_txt/001F0109.D/DA.M/RECALIB.MTH new file mode 100644 index 0000000..144d198 Binary files /dev/null and b/tests/test_readers/data/agilent_txt/001F0109.D/DA.M/RECALIB.MTH differ diff --git a/tests/test_readers/data/agilent_txt/001F0109.D/DA.M/RapidControl.InstrumentConfig.xml b/tests/test_readers/data/agilent_txt/001F0109.D/DA.M/RapidControl.InstrumentConfig.xml new file mode 100644 index 0000000..ebe4736 --- /dev/null +++ b/tests/test_readers/data/agilent_txt/001F0109.D/DA.M/RapidControl.InstrumentConfig.xml @@ -0,0 +1,21 @@ + + + + + + LAN_IP +
192.168.0.2
+ 9100 + false +
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b/tests/test_readers/data/agilent_txt/001F0110.D/DA.M/INFO.MTH differ diff --git a/tests/test_readers/data/agilent_txt/001F0110.D/DA.M/INJECTOR.MTH b/tests/test_readers/data/agilent_txt/001F0110.D/DA.M/INJECTOR.MTH new file mode 100644 index 0000000..0063e0d --- /dev/null +++ b/tests/test_readers/data/agilent_txt/001F0110.D/DA.M/INJECTOR.MTH @@ -0,0 +1,3 @@ +[Injector] +_InjectionSource$=Valve +_MethodInjectors=1 diff --git a/tests/test_readers/data/agilent_txt/001F0110.D/DA.M/RECALIB.MTH b/tests/test_readers/data/agilent_txt/001F0110.D/DA.M/RECALIB.MTH new file mode 100644 index 0000000..144d198 Binary files /dev/null and b/tests/test_readers/data/agilent_txt/001F0110.D/DA.M/RECALIB.MTH differ diff --git a/tests/test_readers/data/agilent_txt/001F0110.D/DA.M/RapidControl.InstrumentConfig.xml b/tests/test_readers/data/agilent_txt/001F0110.D/DA.M/RapidControl.InstrumentConfig.xml new file mode 100644 index 0000000..ebe4736 --- /dev/null +++ b/tests/test_readers/data/agilent_txt/001F0110.D/DA.M/RapidControl.InstrumentConfig.xml @@ -0,0 +1,21 @@ + + + + + + LAN_IP +
192.168.0.2
+ 9100 + false +
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b/tests/test_readers/data/agilent_txt/001F0111.D/DA.M/INFO.MTH differ diff --git a/tests/test_readers/data/agilent_txt/001F0111.D/DA.M/INJECTOR.MTH b/tests/test_readers/data/agilent_txt/001F0111.D/DA.M/INJECTOR.MTH new file mode 100644 index 0000000..0063e0d --- /dev/null +++ b/tests/test_readers/data/agilent_txt/001F0111.D/DA.M/INJECTOR.MTH @@ -0,0 +1,3 @@ +[Injector] +_InjectionSource$=Valve +_MethodInjectors=1 diff --git a/tests/test_readers/data/agilent_txt/001F0111.D/DA.M/RECALIB.MTH b/tests/test_readers/data/agilent_txt/001F0111.D/DA.M/RECALIB.MTH new file mode 100644 index 0000000..144d198 Binary files /dev/null and b/tests/test_readers/data/agilent_txt/001F0111.D/DA.M/RECALIB.MTH differ diff --git a/tests/test_readers/data/agilent_txt/001F0111.D/DA.M/RapidControl.InstrumentConfig.xml b/tests/test_readers/data/agilent_txt/001F0111.D/DA.M/RapidControl.InstrumentConfig.xml new file mode 100644 index 0000000..ebe4736 --- /dev/null +++ b/tests/test_readers/data/agilent_txt/001F0111.D/DA.M/RapidControl.InstrumentConfig.xml @@ -0,0 +1,21 @@ + + + + + + LAN_IP +
192.168.0.2
+ 9100 + false +
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b/tests/test_readers/data/agilent_txt/001F0112.D/DA.M/INFO.MTH differ diff --git a/tests/test_readers/data/agilent_txt/001F0112.D/DA.M/INJECTOR.MTH b/tests/test_readers/data/agilent_txt/001F0112.D/DA.M/INJECTOR.MTH new file mode 100644 index 0000000..0063e0d --- /dev/null +++ b/tests/test_readers/data/agilent_txt/001F0112.D/DA.M/INJECTOR.MTH @@ -0,0 +1,3 @@ +[Injector] +_InjectionSource$=Valve +_MethodInjectors=1 diff --git a/tests/test_readers/data/agilent_txt/001F0112.D/DA.M/RECALIB.MTH b/tests/test_readers/data/agilent_txt/001F0112.D/DA.M/RECALIB.MTH new file mode 100644 index 0000000..144d198 Binary files /dev/null and b/tests/test_readers/data/agilent_txt/001F0112.D/DA.M/RECALIB.MTH differ diff --git a/tests/test_readers/data/agilent_txt/001F0112.D/DA.M/RapidControl.InstrumentConfig.xml b/tests/test_readers/data/agilent_txt/001F0112.D/DA.M/RapidControl.InstrumentConfig.xml new file mode 100644 index 0000000..ebe4736 --- /dev/null +++ b/tests/test_readers/data/agilent_txt/001F0112.D/DA.M/RapidControl.InstrumentConfig.xml @@ -0,0 +1,21 @@ + + + + + + LAN_IP +
192.168.0.2
+ 9100 + false +
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b/tests/test_readers/data/agilent_txt/001F0113.D/DA.M/INFO.MTH differ diff --git a/tests/test_readers/data/agilent_txt/001F0113.D/DA.M/INJECTOR.MTH b/tests/test_readers/data/agilent_txt/001F0113.D/DA.M/INJECTOR.MTH new file mode 100644 index 0000000..0063e0d --- /dev/null +++ b/tests/test_readers/data/agilent_txt/001F0113.D/DA.M/INJECTOR.MTH @@ -0,0 +1,3 @@ +[Injector] +_InjectionSource$=Valve +_MethodInjectors=1 diff --git a/tests/test_readers/data/agilent_txt/001F0113.D/DA.M/RECALIB.MTH b/tests/test_readers/data/agilent_txt/001F0113.D/DA.M/RECALIB.MTH new file mode 100644 index 0000000..144d198 Binary files /dev/null and b/tests/test_readers/data/agilent_txt/001F0113.D/DA.M/RECALIB.MTH differ diff --git a/tests/test_readers/data/agilent_txt/001F0113.D/DA.M/RapidControl.InstrumentConfig.xml b/tests/test_readers/data/agilent_txt/001F0113.D/DA.M/RapidControl.InstrumentConfig.xml new file mode 100644 index 0000000..ebe4736 --- /dev/null +++ b/tests/test_readers/data/agilent_txt/001F0113.D/DA.M/RapidControl.InstrumentConfig.xml @@ -0,0 +1,21 @@ + + + + + + LAN_IP +
192.168.0.2
+ 9100 + false +
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b/tests/test_readers/data/agilent_txt/001F0114.D/DA.M/INFO.MTH differ diff --git a/tests/test_readers/data/agilent_txt/001F0114.D/DA.M/INJECTOR.MTH b/tests/test_readers/data/agilent_txt/001F0114.D/DA.M/INJECTOR.MTH new file mode 100644 index 0000000..0063e0d --- /dev/null +++ b/tests/test_readers/data/agilent_txt/001F0114.D/DA.M/INJECTOR.MTH @@ -0,0 +1,3 @@ +[Injector] +_InjectionSource$=Valve +_MethodInjectors=1 diff --git a/tests/test_readers/data/agilent_txt/001F0114.D/DA.M/RECALIB.MTH b/tests/test_readers/data/agilent_txt/001F0114.D/DA.M/RECALIB.MTH new file mode 100644 index 0000000..144d198 Binary files /dev/null and b/tests/test_readers/data/agilent_txt/001F0114.D/DA.M/RECALIB.MTH differ diff --git a/tests/test_readers/data/agilent_txt/001F0114.D/DA.M/RapidControl.InstrumentConfig.xml b/tests/test_readers/data/agilent_txt/001F0114.D/DA.M/RapidControl.InstrumentConfig.xml new file mode 100644 index 0000000..ebe4736 --- /dev/null +++ b/tests/test_readers/data/agilent_txt/001F0114.D/DA.M/RapidControl.InstrumentConfig.xml @@ -0,0 +1,21 @@ + + + + + + LAN_IP +
192.168.0.2
+ 9100 + false +
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XX X XXX XX XXXXXXX XX X XX + XX XX XX XX XX XX XX + XXXX XXX XXX XXXXX XXX XXX + + + + XXXXXX X X XX + XX X XX XX + XX XXXXX XXXXX XXXXX XXX XXXX XX XXX + XXXXX XX X XX XX XX XX XXX XX + XX XX XXXXXX XX XX XX XX XX XX + X XX XX XX X XX XX XX XX XX XX XX XX + XXXXXX XXX XXXXX X XXX XXXX XXXX XX XX + + + + X + XX XXX XXXXX XX XXX XXXX XX XXX XXXXX + XXX XX XX X XX XX XX XX XXX XX XX + XX XXXXXXX XX XX XX XX XX XX + XX XX XXXXX XX XX XX XX XX + XXXX XXXXX XX XXXX XXXX XXX + XXXX + + + + XXX XXX + XX XX + XX XXXXX XXXXX XX XXXXX XX XXX + XX XXX XX X X XXXXX XX X XXX XX + XXX XX XXXXXXX XXXXXX XX XX XXXXXXX XX + XX XX XX X XX XX XX XX XX + XXX XXX XXXXX XXXXX X XXXX X XXXXX XXXX + + + + X XXX X + XX XX XX + XXXXX XXXXX XXX XX XX XXX XX XXXXX XXXXX XXXXX + XX XX X XX X XX XX XX XX X XX XX X + XX XXXXXXX XX X XX XX XX XX XXXXXX XX XXXXXXX + XX XX XX XX XX XXXXX XX X XX XX XX XX + XXX XXXXX XXX XXX XX XXXX XXXXX X XXX XXXXX + XXXX + + + + + diff --git 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b/tests/test_readers/data/agilent_txt/001F0116.D/DA.M/INFO.MTH differ diff --git a/tests/test_readers/data/agilent_txt/001F0116.D/DA.M/INJECTOR.MTH b/tests/test_readers/data/agilent_txt/001F0116.D/DA.M/INJECTOR.MTH new file mode 100644 index 0000000..0063e0d --- /dev/null +++ b/tests/test_readers/data/agilent_txt/001F0116.D/DA.M/INJECTOR.MTH @@ -0,0 +1,3 @@ +[Injector] +_InjectionSource$=Valve +_MethodInjectors=1 diff --git a/tests/test_readers/data/agilent_txt/001F0116.D/DA.M/RECALIB.MTH b/tests/test_readers/data/agilent_txt/001F0116.D/DA.M/RECALIB.MTH new file mode 100644 index 0000000..144d198 Binary files /dev/null and b/tests/test_readers/data/agilent_txt/001F0116.D/DA.M/RECALIB.MTH differ diff --git a/tests/test_readers/data/agilent_txt/001F0116.D/DA.M/RapidControl.InstrumentConfig.xml b/tests/test_readers/data/agilent_txt/001F0116.D/DA.M/RapidControl.InstrumentConfig.xml new file mode 100644 index 0000000..ebe4736 --- /dev/null +++ b/tests/test_readers/data/agilent_txt/001F0116.D/DA.M/RapidControl.InstrumentConfig.xml @@ -0,0 +1,21 @@ + + + + + + LAN_IP +
192.168.0.2
+ 9100 + false +
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b/tests/test_readers/data/agilent_txt/001F0117.D/DA.M/INFO.MTH differ diff --git a/tests/test_readers/data/agilent_txt/001F0117.D/DA.M/INJECTOR.MTH b/tests/test_readers/data/agilent_txt/001F0117.D/DA.M/INJECTOR.MTH new file mode 100644 index 0000000..0063e0d --- /dev/null +++ b/tests/test_readers/data/agilent_txt/001F0117.D/DA.M/INJECTOR.MTH @@ -0,0 +1,3 @@ +[Injector] +_InjectionSource$=Valve +_MethodInjectors=1 diff --git a/tests/test_readers/data/agilent_txt/001F0117.D/DA.M/RECALIB.MTH b/tests/test_readers/data/agilent_txt/001F0117.D/DA.M/RECALIB.MTH new file mode 100644 index 0000000..144d198 Binary files /dev/null and b/tests/test_readers/data/agilent_txt/001F0117.D/DA.M/RECALIB.MTH differ diff --git a/tests/test_readers/data/agilent_txt/001F0117.D/DA.M/RapidControl.InstrumentConfig.xml b/tests/test_readers/data/agilent_txt/001F0117.D/DA.M/RapidControl.InstrumentConfig.xml new file mode 100644 index 0000000..ebe4736 --- /dev/null +++ b/tests/test_readers/data/agilent_txt/001F0117.D/DA.M/RapidControl.InstrumentConfig.xml @@ -0,0 +1,21 @@ + + + + + + LAN_IP +
192.168.0.2
+ 9100 + false +
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b/tests/test_readers/data/agilent_txt/001F0118.D/DA.M/INFO.MTH differ diff --git a/tests/test_readers/data/agilent_txt/001F0118.D/DA.M/INJECTOR.MTH b/tests/test_readers/data/agilent_txt/001F0118.D/DA.M/INJECTOR.MTH new file mode 100644 index 0000000..0063e0d --- /dev/null +++ b/tests/test_readers/data/agilent_txt/001F0118.D/DA.M/INJECTOR.MTH @@ -0,0 +1,3 @@ +[Injector] +_InjectionSource$=Valve +_MethodInjectors=1 diff --git a/tests/test_readers/data/agilent_txt/001F0118.D/DA.M/RECALIB.MTH b/tests/test_readers/data/agilent_txt/001F0118.D/DA.M/RECALIB.MTH new file mode 100644 index 0000000..144d198 Binary files /dev/null and b/tests/test_readers/data/agilent_txt/001F0118.D/DA.M/RECALIB.MTH differ diff --git a/tests/test_readers/data/agilent_txt/001F0118.D/DA.M/RapidControl.InstrumentConfig.xml b/tests/test_readers/data/agilent_txt/001F0118.D/DA.M/RapidControl.InstrumentConfig.xml new file mode 100644 index 0000000..ebe4736 --- /dev/null +++ b/tests/test_readers/data/agilent_txt/001F0118.D/DA.M/RapidControl.InstrumentConfig.xml @@ -0,0 +1,21 @@ + + + + + + LAN_IP +
192.168.0.2
+ 9100 + false +
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b/tests/test_readers/data/agilent_txt/001F0119.D/DA.M/INFO.MTH differ diff --git a/tests/test_readers/data/agilent_txt/001F0119.D/DA.M/INJECTOR.MTH b/tests/test_readers/data/agilent_txt/001F0119.D/DA.M/INJECTOR.MTH new file mode 100644 index 0000000..0063e0d --- /dev/null +++ b/tests/test_readers/data/agilent_txt/001F0119.D/DA.M/INJECTOR.MTH @@ -0,0 +1,3 @@ +[Injector] +_InjectionSource$=Valve +_MethodInjectors=1 diff --git a/tests/test_readers/data/agilent_txt/001F0119.D/DA.M/RECALIB.MTH b/tests/test_readers/data/agilent_txt/001F0119.D/DA.M/RECALIB.MTH new file mode 100644 index 0000000..144d198 Binary files /dev/null and b/tests/test_readers/data/agilent_txt/001F0119.D/DA.M/RECALIB.MTH differ diff --git a/tests/test_readers/data/agilent_txt/001F0119.D/DA.M/RapidControl.InstrumentConfig.xml b/tests/test_readers/data/agilent_txt/001F0119.D/DA.M/RapidControl.InstrumentConfig.xml new file mode 100644 index 0000000..ebe4736 --- /dev/null +++ b/tests/test_readers/data/agilent_txt/001F0119.D/DA.M/RapidControl.InstrumentConfig.xml @@ -0,0 +1,21 @@ + + + + + + LAN_IP +
192.168.0.2
+ 9100 + false +
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192.168.0.2
+ 9100 + false +
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XX X XXX XX XXXXXXX XX X XX + XX XX XX XX XX XX XX + XXXX XXX XXX XXXXX XXX XXX + + + + XXXXXX X X XX + XX X XX XX + XX XXXXX XXXXX XXXXX XXX XXXX XX XXX + XXXXX XX X XX XX XX XX XXX XX + XX XX XXXXXX XX XX XX XX XX XX + X XX XX XX X XX XX XX XX XX XX XX XX + XXXXXX XXX XXXXX X XXX XXXX XXXX XX XX + + + + X + XX XXX XXXXX XX XXX XXXX XX XXX XXXXX + XXX XX XX X XX XX XX XX XXX XX XX + XX XXXXXXX XX XX XX XX XX XX + XX XX XXXXX XX XX XX XX XX + XXXX XXXXX XX XXXX XXXX XXX + XXXX + + + + XXX XXX + XX XX + XX XXXXX XXXXX XX XXXXX XX XXX + XX XXX XX X X XXXXX XX X XXX XX + XXX XX XXXXXXX XXXXXX XX XX XXXXXXX XX + XX XX XX X XX XX XX XX XX + XXX XXX XXXXX XXXXX X XXXX X XXXXX XXXX + + + + X XXX X + XX XX XX + XXXXX XXXXX XXX XX XX XXX XX XXXXX XXXXX XXXXX + XX XX X XX X XX XX XX XX X XX XX X + XX XXXXXXX XX X XX XX XX XX XXXXXX XX XXXXXXX + XX XX XX XX XX XXXXX XX X XX XX XX XX + XXX XXXXX XXX XXX XX XXXX XXXXX X XXX XXXXX + XXXX + + + + + diff --git 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b/tests/test_readers/data/agilent_txt/001F0120.D/DA.M/INFO.MTH differ diff --git a/tests/test_readers/data/agilent_txt/001F0120.D/DA.M/INJECTOR.MTH b/tests/test_readers/data/agilent_txt/001F0120.D/DA.M/INJECTOR.MTH new file mode 100644 index 0000000..0063e0d --- /dev/null +++ b/tests/test_readers/data/agilent_txt/001F0120.D/DA.M/INJECTOR.MTH @@ -0,0 +1,3 @@ +[Injector] +_InjectionSource$=Valve +_MethodInjectors=1 diff --git a/tests/test_readers/data/agilent_txt/001F0120.D/DA.M/RECALIB.MTH b/tests/test_readers/data/agilent_txt/001F0120.D/DA.M/RECALIB.MTH new file mode 100644 index 0000000..144d198 Binary files /dev/null and b/tests/test_readers/data/agilent_txt/001F0120.D/DA.M/RECALIB.MTH differ diff --git a/tests/test_readers/data/agilent_txt/001F0120.D/DA.M/RapidControl.InstrumentConfig.xml b/tests/test_readers/data/agilent_txt/001F0120.D/DA.M/RapidControl.InstrumentConfig.xml new file mode 100644 index 0000000..ebe4736 --- /dev/null +++ b/tests/test_readers/data/agilent_txt/001F0120.D/DA.M/RapidControl.InstrumentConfig.xml @@ -0,0 +1,21 @@ + + + + + + LAN_IP +
192.168.0.2
+ 9100 + false +
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XX X XXX XX XXXXXXX XX X XX + XX XX XX XX XX XX XX + XXXX XXX XXX XXXXX XXX XXX + + + + XXXXXX X X XX + XX X XX XX + XX XXXXX XXXXX XXXXX XXX XXXX XX XXX + XXXXX XX X XX XX XX XX XXX XX + XX XX XXXXXX XX XX XX XX XX XX + X XX XX XX X XX XX XX XX XX XX XX XX + XXXXXX XXX XXXXX X XXX XXXX XXXX XX XX + + + + X + XX XXX XXXXX XX XXX XXXX XX XXX XXXXX + XXX XX XX X XX XX XX XX XXX XX XX + XX XXXXXXX XX XX XX XX XX XX + XX XX XXXXX XX XX XX XX XX + XXXX XXXXX XX XXXX XXXX XXX + XXXX + + + + XXX XXX + XX XX + XX XXXXX XXXXX XX XXXXX XX XXX + XX XXX XX X X XXXXX XX X XXX XX + XXX XX XXXXXXX XXXXXX XX XX XXXXXXX XX + XX XX XX X XX XX XX XX XX + XXX XXX XXXXX XXXXX X XXXX X XXXXX XXXX + + + + X XXX X + XX XX XX + XXXXX XXXXX XXX XX XX XXX XX XXXXX XXXXX XXXXX + XX XX X XX X XX XX XX XX X XX XX X + XX XXXXXXX XX X XX XX XX XX XXXXXX XX XXXXXXX + XX XX XX XX XX XXXXX XX X XX XX XX XX + XXX XXXXX XXX XXX XX XXXX XXXXX X XXX XXXXX + XXXX + + + + + diff --git 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b/tests/test_readers/data/agilent_txt/001F0121.D/DA.M/INFO.MTH differ diff --git a/tests/test_readers/data/agilent_txt/001F0121.D/DA.M/INJECTOR.MTH b/tests/test_readers/data/agilent_txt/001F0121.D/DA.M/INJECTOR.MTH new file mode 100644 index 0000000..0063e0d --- /dev/null +++ b/tests/test_readers/data/agilent_txt/001F0121.D/DA.M/INJECTOR.MTH @@ -0,0 +1,3 @@ +[Injector] +_InjectionSource$=Valve +_MethodInjectors=1 diff --git a/tests/test_readers/data/agilent_txt/001F0121.D/DA.M/RECALIB.MTH b/tests/test_readers/data/agilent_txt/001F0121.D/DA.M/RECALIB.MTH new file mode 100644 index 0000000..144d198 Binary files /dev/null and b/tests/test_readers/data/agilent_txt/001F0121.D/DA.M/RECALIB.MTH differ diff --git a/tests/test_readers/data/agilent_txt/001F0121.D/DA.M/RapidControl.InstrumentConfig.xml b/tests/test_readers/data/agilent_txt/001F0121.D/DA.M/RapidControl.InstrumentConfig.xml new file mode 100644 index 0000000..ebe4736 --- /dev/null +++ b/tests/test_readers/data/agilent_txt/001F0121.D/DA.M/RapidControl.InstrumentConfig.xml @@ -0,0 +1,21 @@ + + + + + + LAN_IP +
192.168.0.2
+ 9100 + false +
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XX X XXX XX XXXXXXX XX X XX + XX XX XX XX XX XX XX + XXXX XXX XXX XXXXX XXX XXX + + + + XXXXXX X X XX + XX X XX XX + XX XXXXX XXXXX XXXXX XXX XXXX XX XXX + XXXXX XX X XX XX XX XX XXX XX + XX XX XXXXXX XX XX XX XX XX XX + X XX XX XX X XX XX XX XX XX XX XX XX + XXXXXX XXX XXXXX X XXX XXXX XXXX XX XX + + + + X + XX XXX XXXXX XX XXX XXXX XX XXX XXXXX + XXX XX XX X XX XX XX XX XXX XX XX + XX XXXXXXX XX XX XX XX XX XX + XX XX XXXXX XX XX XX XX XX + XXXX XXXXX XX XXXX XXXX XXX + XXXX + + + + XXX XXX + XX XX + XX XXXXX XXXXX XX XXXXX XX XXX + XX XXX XX X X XXXXX XX X XXX XX + XXX XX XXXXXXX XXXXXX XX XX XXXXXXX XX + XX XX XX X XX XX XX XX XX + XXX XXX XXXXX XXXXX X XXXX X XXXXX XXXX + + + + X XXX X + XX XX XX + XXXXX XXXXX XXX XX XX XXX XX XXXXX XXXXX XXXXX + XX XX X XX X XX XX XX XX X XX XX X + XX XXXXXXX XX X XX XX XX XX XXXXXX XX XXXXXXX + XX XX XX XX XX XXXXX XX X XX XX XX XX + XXX XXXXX XXX XXX XX XXXX XXXXX X XXX XXXXX + XXXX + + + + + diff --git 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b/tests/test_readers/data/agilent_txt/001F0122.D/DA.M/INFO.MTH differ diff --git a/tests/test_readers/data/agilent_txt/001F0122.D/DA.M/INJECTOR.MTH b/tests/test_readers/data/agilent_txt/001F0122.D/DA.M/INJECTOR.MTH new file mode 100644 index 0000000..0063e0d --- /dev/null +++ b/tests/test_readers/data/agilent_txt/001F0122.D/DA.M/INJECTOR.MTH @@ -0,0 +1,3 @@ +[Injector] +_InjectionSource$=Valve +_MethodInjectors=1 diff --git a/tests/test_readers/data/agilent_txt/001F0122.D/DA.M/RECALIB.MTH b/tests/test_readers/data/agilent_txt/001F0122.D/DA.M/RECALIB.MTH new file mode 100644 index 0000000..144d198 Binary files /dev/null and b/tests/test_readers/data/agilent_txt/001F0122.D/DA.M/RECALIB.MTH differ diff --git a/tests/test_readers/data/agilent_txt/001F0122.D/DA.M/RapidControl.InstrumentConfig.xml b/tests/test_readers/data/agilent_txt/001F0122.D/DA.M/RapidControl.InstrumentConfig.xml new file mode 100644 index 0000000..ebe4736 --- /dev/null +++ b/tests/test_readers/data/agilent_txt/001F0122.D/DA.M/RapidControl.InstrumentConfig.xml @@ -0,0 +1,21 @@ + + + + + + LAN_IP +
192.168.0.2
+ 9100 + false +
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XX X XXX XX XXXXXXX XX X XX + XX XX XX XX XX XX XX + XXXX XXX XXX XXXXX XXX XXX + + + + XXXXXX X X XX + XX X XX XX + XX XXXXX XXXXX XXXXX XXX XXXX XX XXX + XXXXX XX X XX XX XX XX XXX XX + XX XX XXXXXX XX XX XX XX XX XX + X XX XX XX X XX XX XX XX XX XX XX XX + XXXXXX XXX XXXXX X XXX XXXX XXXX XX XX + + + + X + XX XXX XXXXX XX XXX XXXX XX XXX XXXXX + XXX XX XX X XX XX XX XX XXX XX XX + XX XXXXXXX XX XX XX XX XX XX + XX XX XXXXX XX XX XX XX XX + XXXX XXXXX XX XXXX XXXX XXX + XXXX + + + + XXX XXX + XX XX + XX XXXXX XXXXX XX XXXXX XX XXX + XX XXX XX X X XXXXX XX X XXX XX + XXX XX XXXXXXX XXXXXX XX XX XXXXXXX XX + XX XX XX X XX XX XX XX XX + XXX XXX XXXXX XXXXX X XXXX X XXXXX XXXX + + + + X XXX X + XX XX XX + XXXXX XXXXX XXX XX XX XXX XX XXXXX XXXXX XXXXX + XX XX X XX X XX XX XX XX X XX XX X + XX XXXXXXX XX X XX XX XX XX XXXXXX XX XXXXXXX + XX XX XX XX XX XXXXX XX X XX XX XX XX + XXX XXXXX XXX XXX XX XXXX XXXXX X XXX XXXXX + XXXX + + + + + diff --git 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b/tests/test_readers/data/agilent_txt/001F0124.D/DA.M/INFO.MTH differ diff --git a/tests/test_readers/data/agilent_txt/001F0124.D/DA.M/INJECTOR.MTH b/tests/test_readers/data/agilent_txt/001F0124.D/DA.M/INJECTOR.MTH new file mode 100644 index 0000000..0063e0d --- /dev/null +++ b/tests/test_readers/data/agilent_txt/001F0124.D/DA.M/INJECTOR.MTH @@ -0,0 +1,3 @@ +[Injector] +_InjectionSource$=Valve +_MethodInjectors=1 diff --git a/tests/test_readers/data/agilent_txt/001F0124.D/DA.M/RECALIB.MTH b/tests/test_readers/data/agilent_txt/001F0124.D/DA.M/RECALIB.MTH new file mode 100644 index 0000000..144d198 Binary files /dev/null and b/tests/test_readers/data/agilent_txt/001F0124.D/DA.M/RECALIB.MTH differ diff --git a/tests/test_readers/data/agilent_txt/001F0124.D/DA.M/RapidControl.InstrumentConfig.xml b/tests/test_readers/data/agilent_txt/001F0124.D/DA.M/RapidControl.InstrumentConfig.xml new file mode 100644 index 0000000..ebe4736 --- /dev/null +++ b/tests/test_readers/data/agilent_txt/001F0124.D/DA.M/RapidControl.InstrumentConfig.xml @@ -0,0 +1,21 @@ + + + + + + LAN_IP +
192.168.0.2
+ 9100 + false +
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XX X XXX XX XXXXXXX XX X XX + XX XX XX XX XX XX XX + XXXX XXX XXX XXXXX XXX XXX + + + + XXXXXX X X XX + XX X XX XX + XX XXXXX XXXXX XXXXX XXX XXXX XX XXX + XXXXX XX X XX XX XX XX XXX XX + XX XX XXXXXX XX XX XX XX XX XX + X XX XX XX X XX XX XX XX XX XX XX XX + XXXXXX XXX XXXXX X XXX XXXX XXXX XX XX + + + + X + XX XXX XXXXX XX XXX XXXX XX XXX XXXXX + XXX XX XX X XX XX XX XX XXX XX XX + XX XXXXXXX XX XX XX XX XX XX + XX XX XXXXX XX XX XX XX XX + XXXX XXXXX XX XXXX XXXX XXX + XXXX + + + + XXX XXX + XX XX + XX XXXXX XXXXX XX XXXXX XX XXX + XX XXX XX X X XXXXX XX X XXX XX + XXX XX XXXXXXX XXXXXX XX XX XXXXXXX XX + XX XX XX X XX XX XX XX XX + XXX XXX XXXXX XXXXX X XXXX X XXXXX XXXX + + + + X XXX X + XX XX XX + XXXXX XXXXX XXX XX XX XXX XX XXXXX XXXXX XXXXX + XX XX X XX X XX XX XX XX X XX XX X + XX XXXXXXX XX X XX XX XX XX XXXXXX XX XXXXXXX + XX XX XX XX XX XXXXX XX X XX XX XX XX + XXX XXXXX XXX XXX XX XXXX XXXXX X XXX XXXXX + XXXX + + + + + diff --git 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b/tests/test_readers/data/agilent_txt/001F0126.D/DA.M/INFO.MTH differ diff --git a/tests/test_readers/data/agilent_txt/001F0126.D/DA.M/INJECTOR.MTH b/tests/test_readers/data/agilent_txt/001F0126.D/DA.M/INJECTOR.MTH new file mode 100644 index 0000000..0063e0d --- /dev/null +++ b/tests/test_readers/data/agilent_txt/001F0126.D/DA.M/INJECTOR.MTH @@ -0,0 +1,3 @@ +[Injector] +_InjectionSource$=Valve +_MethodInjectors=1 diff --git a/tests/test_readers/data/agilent_txt/001F0126.D/DA.M/RECALIB.MTH b/tests/test_readers/data/agilent_txt/001F0126.D/DA.M/RECALIB.MTH new file mode 100644 index 0000000..144d198 Binary files /dev/null and b/tests/test_readers/data/agilent_txt/001F0126.D/DA.M/RECALIB.MTH differ diff --git a/tests/test_readers/data/agilent_txt/001F0126.D/DA.M/RapidControl.InstrumentConfig.xml b/tests/test_readers/data/agilent_txt/001F0126.D/DA.M/RapidControl.InstrumentConfig.xml new file mode 100644 index 0000000..ebe4736 --- /dev/null +++ b/tests/test_readers/data/agilent_txt/001F0126.D/DA.M/RapidControl.InstrumentConfig.xml @@ -0,0 +1,21 @@ + + + + + + LAN_IP +
192.168.0.2
+ 9100 + false +
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b/tests/test_readers/data/agilent_txt/001F0127.D/DA.M/INFO.MTH differ diff --git a/tests/test_readers/data/agilent_txt/001F0127.D/DA.M/INJECTOR.MTH b/tests/test_readers/data/agilent_txt/001F0127.D/DA.M/INJECTOR.MTH new file mode 100644 index 0000000..0063e0d --- /dev/null +++ b/tests/test_readers/data/agilent_txt/001F0127.D/DA.M/INJECTOR.MTH @@ -0,0 +1,3 @@ +[Injector] +_InjectionSource$=Valve +_MethodInjectors=1 diff --git a/tests/test_readers/data/agilent_txt/001F0127.D/DA.M/RECALIB.MTH b/tests/test_readers/data/agilent_txt/001F0127.D/DA.M/RECALIB.MTH new file mode 100644 index 0000000..144d198 Binary files /dev/null and b/tests/test_readers/data/agilent_txt/001F0127.D/DA.M/RECALIB.MTH differ diff --git a/tests/test_readers/data/agilent_txt/001F0127.D/DA.M/RapidControl.InstrumentConfig.xml b/tests/test_readers/data/agilent_txt/001F0127.D/DA.M/RapidControl.InstrumentConfig.xml new file mode 100644 index 0000000..ebe4736 --- /dev/null +++ b/tests/test_readers/data/agilent_txt/001F0127.D/DA.M/RapidControl.InstrumentConfig.xml @@ -0,0 +1,21 @@ + + + + + + LAN_IP +
192.168.0.2
+ 9100 + false +
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b/tests/test_readers/data/agilent_txt/001F0128.D/DA.M/INFO.MTH differ diff --git a/tests/test_readers/data/agilent_txt/001F0128.D/DA.M/INJECTOR.MTH b/tests/test_readers/data/agilent_txt/001F0128.D/DA.M/INJECTOR.MTH new file mode 100644 index 0000000..0063e0d --- /dev/null +++ b/tests/test_readers/data/agilent_txt/001F0128.D/DA.M/INJECTOR.MTH @@ -0,0 +1,3 @@ +[Injector] +_InjectionSource$=Valve +_MethodInjectors=1 diff --git a/tests/test_readers/data/agilent_txt/001F0128.D/DA.M/RECALIB.MTH b/tests/test_readers/data/agilent_txt/001F0128.D/DA.M/RECALIB.MTH new file mode 100644 index 0000000..144d198 Binary files /dev/null and b/tests/test_readers/data/agilent_txt/001F0128.D/DA.M/RECALIB.MTH differ diff --git a/tests/test_readers/data/agilent_txt/001F0128.D/DA.M/RapidControl.InstrumentConfig.xml b/tests/test_readers/data/agilent_txt/001F0128.D/DA.M/RapidControl.InstrumentConfig.xml new file mode 100644 index 0000000..ebe4736 --- /dev/null +++ b/tests/test_readers/data/agilent_txt/001F0128.D/DA.M/RapidControl.InstrumentConfig.xml @@ -0,0 +1,21 @@ + + + + + + LAN_IP +
192.168.0.2
+ 9100 + false +
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b/tests/test_readers/data/agilent_txt/001F0129.D/DA.M/INFO.MTH differ diff --git a/tests/test_readers/data/agilent_txt/001F0129.D/DA.M/INJECTOR.MTH b/tests/test_readers/data/agilent_txt/001F0129.D/DA.M/INJECTOR.MTH new file mode 100644 index 0000000..0063e0d --- /dev/null +++ b/tests/test_readers/data/agilent_txt/001F0129.D/DA.M/INJECTOR.MTH @@ -0,0 +1,3 @@ +[Injector] +_InjectionSource$=Valve +_MethodInjectors=1 diff --git a/tests/test_readers/data/agilent_txt/001F0129.D/DA.M/RECALIB.MTH b/tests/test_readers/data/agilent_txt/001F0129.D/DA.M/RECALIB.MTH new file mode 100644 index 0000000..144d198 Binary files /dev/null and b/tests/test_readers/data/agilent_txt/001F0129.D/DA.M/RECALIB.MTH differ diff --git a/tests/test_readers/data/agilent_txt/001F0129.D/DA.M/RapidControl.InstrumentConfig.xml b/tests/test_readers/data/agilent_txt/001F0129.D/DA.M/RapidControl.InstrumentConfig.xml new file mode 100644 index 0000000..ebe4736 --- /dev/null +++ b/tests/test_readers/data/agilent_txt/001F0129.D/DA.M/RapidControl.InstrumentConfig.xml @@ -0,0 +1,21 @@ + + + + + + LAN_IP +
192.168.0.2
+ 9100 + false +
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b/tests/test_readers/data/agilent_txt/001F0130.D/DA.M/INFO.MTH differ diff --git a/tests/test_readers/data/agilent_txt/001F0130.D/DA.M/INJECTOR.MTH b/tests/test_readers/data/agilent_txt/001F0130.D/DA.M/INJECTOR.MTH new file mode 100644 index 0000000..0063e0d --- /dev/null +++ b/tests/test_readers/data/agilent_txt/001F0130.D/DA.M/INJECTOR.MTH @@ -0,0 +1,3 @@ +[Injector] +_InjectionSource$=Valve +_MethodInjectors=1 diff --git a/tests/test_readers/data/agilent_txt/001F0130.D/DA.M/RECALIB.MTH b/tests/test_readers/data/agilent_txt/001F0130.D/DA.M/RECALIB.MTH new file mode 100644 index 0000000..144d198 Binary files /dev/null and b/tests/test_readers/data/agilent_txt/001F0130.D/DA.M/RECALIB.MTH differ diff --git a/tests/test_readers/data/agilent_txt/001F0130.D/DA.M/RapidControl.InstrumentConfig.xml b/tests/test_readers/data/agilent_txt/001F0130.D/DA.M/RapidControl.InstrumentConfig.xml new file mode 100644 index 0000000..ebe4736 --- /dev/null +++ b/tests/test_readers/data/agilent_txt/001F0130.D/DA.M/RapidControl.InstrumentConfig.xml @@ -0,0 +1,21 @@ + + + + + + LAN_IP +
192.168.0.2
+ 9100 + false +
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b/tests/test_readers/data/agilent_txt/001F0131.D/DA.M/INFO.MTH differ diff --git a/tests/test_readers/data/agilent_txt/001F0131.D/DA.M/INJECTOR.MTH b/tests/test_readers/data/agilent_txt/001F0131.D/DA.M/INJECTOR.MTH new file mode 100644 index 0000000..0063e0d --- /dev/null +++ b/tests/test_readers/data/agilent_txt/001F0131.D/DA.M/INJECTOR.MTH @@ -0,0 +1,3 @@ +[Injector] +_InjectionSource$=Valve +_MethodInjectors=1 diff --git a/tests/test_readers/data/agilent_txt/001F0131.D/DA.M/RECALIB.MTH b/tests/test_readers/data/agilent_txt/001F0131.D/DA.M/RECALIB.MTH new file mode 100644 index 0000000..144d198 Binary files /dev/null and b/tests/test_readers/data/agilent_txt/001F0131.D/DA.M/RECALIB.MTH differ diff --git a/tests/test_readers/data/agilent_txt/001F0131.D/DA.M/RapidControl.InstrumentConfig.xml b/tests/test_readers/data/agilent_txt/001F0131.D/DA.M/RapidControl.InstrumentConfig.xml new file mode 100644 index 0000000..ebe4736 --- /dev/null +++ b/tests/test_readers/data/agilent_txt/001F0131.D/DA.M/RapidControl.InstrumentConfig.xml @@ -0,0 +1,21 @@ + + + + + + LAN_IP +
192.168.0.2
+ 9100 + false +
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b/tests/test_readers/data/agilent_txt/001F0132.D/DA.M/INFO.MTH differ diff --git a/tests/test_readers/data/agilent_txt/001F0132.D/DA.M/INJECTOR.MTH b/tests/test_readers/data/agilent_txt/001F0132.D/DA.M/INJECTOR.MTH new file mode 100644 index 0000000..0063e0d --- /dev/null +++ b/tests/test_readers/data/agilent_txt/001F0132.D/DA.M/INJECTOR.MTH @@ -0,0 +1,3 @@ +[Injector] +_InjectionSource$=Valve +_MethodInjectors=1 diff --git a/tests/test_readers/data/agilent_txt/001F0132.D/DA.M/RECALIB.MTH b/tests/test_readers/data/agilent_txt/001F0132.D/DA.M/RECALIB.MTH new file mode 100644 index 0000000..144d198 Binary files /dev/null and b/tests/test_readers/data/agilent_txt/001F0132.D/DA.M/RECALIB.MTH differ diff --git a/tests/test_readers/data/agilent_txt/001F0132.D/DA.M/RapidControl.InstrumentConfig.xml b/tests/test_readers/data/agilent_txt/001F0132.D/DA.M/RapidControl.InstrumentConfig.xml new file mode 100644 index 0000000..ebe4736 --- /dev/null +++ b/tests/test_readers/data/agilent_txt/001F0132.D/DA.M/RapidControl.InstrumentConfig.xml @@ -0,0 +1,21 @@ + + + + + + LAN_IP +
192.168.0.2
+ 9100 + false +
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b/tests/test_readers/data/agilent_txt/001F0133.D/DA.M/INFO.MTH differ diff --git a/tests/test_readers/data/agilent_txt/001F0133.D/DA.M/INJECTOR.MTH b/tests/test_readers/data/agilent_txt/001F0133.D/DA.M/INJECTOR.MTH new file mode 100644 index 0000000..0063e0d --- /dev/null +++ b/tests/test_readers/data/agilent_txt/001F0133.D/DA.M/INJECTOR.MTH @@ -0,0 +1,3 @@ +[Injector] +_InjectionSource$=Valve +_MethodInjectors=1 diff --git a/tests/test_readers/data/agilent_txt/001F0133.D/DA.M/RECALIB.MTH b/tests/test_readers/data/agilent_txt/001F0133.D/DA.M/RECALIB.MTH new file mode 100644 index 0000000..144d198 Binary files /dev/null and b/tests/test_readers/data/agilent_txt/001F0133.D/DA.M/RECALIB.MTH differ diff --git a/tests/test_readers/data/agilent_txt/001F0133.D/DA.M/RapidControl.InstrumentConfig.xml b/tests/test_readers/data/agilent_txt/001F0133.D/DA.M/RapidControl.InstrumentConfig.xml new file mode 100644 index 0000000..ebe4736 --- /dev/null +++ b/tests/test_readers/data/agilent_txt/001F0133.D/DA.M/RapidControl.InstrumentConfig.xml @@ -0,0 +1,21 @@ + + + + + + LAN_IP +
192.168.0.2
+ 9100 + false +
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XX X XXX XX XXXXXXX XX X XX + XX XX XX XX XX XX XX + XXXX XXX XXX XXXXX XXX XXX + + + + XXXXXX X X XX + XX X XX XX + XX XXXXX XXXXX XXXXX XXX XXXX XX XXX + XXXXX XX X XX XX XX XX XXX XX + XX XX XXXXXX XX XX XX XX XX XX + X XX XX XX X XX XX XX XX XX XX XX XX + XXXXXX XXX XXXXX X XXX XXXX XXXX XX XX + + + + X + XX XXX XXXXX XX XXX XXXX XX XXX XXXXX + XXX XX XX X XX XX XX XX XXX XX XX + XX XXXXXXX XX XX XX XX XX XX + XX XX XXXXX XX XX XX XX XX + XXXX XXXXX XX XXXX XXXX XXX + XXXX + + + + XXX XXX + XX XX + XX XXXXX XXXXX XX XXXXX XX XXX + XX XXX XX X X XXXXX XX X XXX XX + XXX XX XXXXXXX XXXXXX XX XX XXXXXXX XX + XX XX XX X XX XX XX XX XX + XXX XXX XXXXX XXXXX X XXXX X XXXXX XXXX + + + + X XXX X + XX XX XX + XXXXX XXXXX XXX XX XX XXX XX XXXXX XXXXX XXXXX + XX XX X XX X XX XX XX XX X XX XX X + XX XXXXXXX XX X XX XX XX XX XXXXXX XX XXXXXXX + XX XX XX XX XX XXXXX XX X XX XX XX XX + XXX XXXXX XXX XXX XX XXXX XXXXX X XXX XXXXX + XXXX + + + + + diff --git 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b/tests/test_readers/data/agilent_txt/001F0134.D/DA.M/AGILENT/HP6890GC1.RapidControl.MethodMetaData.xml differ diff --git a/tests/test_readers/data/agilent_txt/001F0134.D/DA.M/AGILENT/HP6890GC1.RapidControl.MethodXML.xml b/tests/test_readers/data/agilent_txt/001F0134.D/DA.M/AGILENT/HP6890GC1.RapidControl.MethodXML.xml new file mode 100644 index 0000000..dcdc3dc Binary files /dev/null and b/tests/test_readers/data/agilent_txt/001F0134.D/DA.M/AGILENT/HP6890GC1.RapidControl.MethodXML.xml differ diff --git a/tests/test_readers/data/agilent_txt/001F0134.D/DA.M/DAMETHOD.REG b/tests/test_readers/data/agilent_txt/001F0134.D/DA.M/DAMETHOD.REG new file mode 100644 index 0000000..00bf4b9 Binary files /dev/null and b/tests/test_readers/data/agilent_txt/001F0134.D/DA.M/DAMETHOD.REG differ diff --git a/tests/test_readers/data/agilent_txt/001F0134.D/DA.M/INFO.MTH b/tests/test_readers/data/agilent_txt/001F0134.D/DA.M/INFO.MTH new file mode 100644 index 0000000..d9d38b7 Binary files /dev/null and b/tests/test_readers/data/agilent_txt/001F0134.D/DA.M/INFO.MTH differ diff --git a/tests/test_readers/data/agilent_txt/001F0134.D/DA.M/INJECTOR.MTH b/tests/test_readers/data/agilent_txt/001F0134.D/DA.M/INJECTOR.MTH new file mode 100644 index 0000000..0063e0d --- /dev/null +++ b/tests/test_readers/data/agilent_txt/001F0134.D/DA.M/INJECTOR.MTH @@ -0,0 +1,3 @@ +[Injector] +_InjectionSource$=Valve +_MethodInjectors=1 diff --git a/tests/test_readers/data/agilent_txt/001F0134.D/DA.M/RECALIB.MTH b/tests/test_readers/data/agilent_txt/001F0134.D/DA.M/RECALIB.MTH new file mode 100644 index 0000000..144d198 Binary files /dev/null and b/tests/test_readers/data/agilent_txt/001F0134.D/DA.M/RECALIB.MTH differ diff --git a/tests/test_readers/data/agilent_txt/001F0134.D/DA.M/RapidControl.InstrumentConfig.xml b/tests/test_readers/data/agilent_txt/001F0134.D/DA.M/RapidControl.InstrumentConfig.xml new file mode 100644 index 0000000..ebe4736 --- /dev/null +++ b/tests/test_readers/data/agilent_txt/001F0134.D/DA.M/RapidControl.InstrumentConfig.xml @@ -0,0 +1,21 @@ + + + + + + LAN_IP +
192.168.0.2
+ 9100 + false +
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b/tests/test_readers/data/agilent_txt/001F0135.D/DA.M/INFO.MTH differ diff --git a/tests/test_readers/data/agilent_txt/001F0135.D/DA.M/INJECTOR.MTH b/tests/test_readers/data/agilent_txt/001F0135.D/DA.M/INJECTOR.MTH new file mode 100644 index 0000000..0063e0d --- /dev/null +++ b/tests/test_readers/data/agilent_txt/001F0135.D/DA.M/INJECTOR.MTH @@ -0,0 +1,3 @@ +[Injector] +_InjectionSource$=Valve +_MethodInjectors=1 diff --git a/tests/test_readers/data/agilent_txt/001F0135.D/DA.M/RECALIB.MTH b/tests/test_readers/data/agilent_txt/001F0135.D/DA.M/RECALIB.MTH new file mode 100644 index 0000000..144d198 Binary files /dev/null and b/tests/test_readers/data/agilent_txt/001F0135.D/DA.M/RECALIB.MTH differ diff --git a/tests/test_readers/data/agilent_txt/001F0135.D/DA.M/RapidControl.InstrumentConfig.xml b/tests/test_readers/data/agilent_txt/001F0135.D/DA.M/RapidControl.InstrumentConfig.xml new file mode 100644 index 0000000..ebe4736 --- /dev/null +++ b/tests/test_readers/data/agilent_txt/001F0135.D/DA.M/RapidControl.InstrumentConfig.xml @@ -0,0 +1,21 @@ + + + + + + LAN_IP +
192.168.0.2
+ 9100 + false +
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b/tests/test_readers/data/agilent_txt/001F0136.D/DA.M/INFO.MTH differ diff --git a/tests/test_readers/data/agilent_txt/001F0136.D/DA.M/INJECTOR.MTH b/tests/test_readers/data/agilent_txt/001F0136.D/DA.M/INJECTOR.MTH new file mode 100644 index 0000000..0063e0d --- /dev/null +++ b/tests/test_readers/data/agilent_txt/001F0136.D/DA.M/INJECTOR.MTH @@ -0,0 +1,3 @@ +[Injector] +_InjectionSource$=Valve +_MethodInjectors=1 diff --git a/tests/test_readers/data/agilent_txt/001F0136.D/DA.M/RECALIB.MTH b/tests/test_readers/data/agilent_txt/001F0136.D/DA.M/RECALIB.MTH new file mode 100644 index 0000000..144d198 Binary files /dev/null and b/tests/test_readers/data/agilent_txt/001F0136.D/DA.M/RECALIB.MTH differ diff --git a/tests/test_readers/data/agilent_txt/001F0136.D/DA.M/RapidControl.InstrumentConfig.xml b/tests/test_readers/data/agilent_txt/001F0136.D/DA.M/RapidControl.InstrumentConfig.xml new file mode 100644 index 0000000..ebe4736 --- /dev/null +++ b/tests/test_readers/data/agilent_txt/001F0136.D/DA.M/RapidControl.InstrumentConfig.xml @@ -0,0 +1,21 @@ + + + + + + LAN_IP +
192.168.0.2
+ 9100 + false +
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XX X XXX XX XXXXXXX XX X XX + XX XX XX XX XX XX XX + XXXX XXX XXX XXXXX XXX XXX + + + + XXXXXX X X XX + XX X XX XX + XX XXXXX XXXXX XXXXX XXX XXXX XX XXX + XXXXX XX X XX XX XX XX XXX XX + XX XX XXXXXX XX XX XX XX XX XX + X XX XX XX X XX XX XX XX XX XX XX XX + XXXXXX XXX XXXXX X XXX XXXX XXXX XX XX + + + + X + XX XXX XXXXX XX XXX XXXX XX XXX XXXXX + XXX XX XX X XX XX XX XX XXX XX XX + XX XXXXXXX XX XX XX XX XX XX + XX XX XXXXX XX XX XX XX XX + XXXX XXXXX XX XXXX XXXX XXX + XXXX + + + + XXX XXX + XX XX + XX XXXXX XXXXX XX XXXXX XX XXX + XX XXX XX X X XXXXX XX X XXX XX + XXX XX XXXXXXX XXXXXX XX XX XXXXXXX XX + XX XX XX X XX XX XX XX XX + XXX XXX XXXXX XXXXX X XXXX X XXXXX XXXX + + + + X XXX X + XX XX XX + XXXXX XXXXX XXX XX XX XXX XX XXXXX XXXXX XXXXX + XX XX X XX X XX XX XX XX X XX XX X + XX XXXXXXX XX X XX XX XX XX XXXXXX XX XXXXXXX + XX XX XX XX XX XXXXX XX X XX XX XX XX + XXX XXXXX XXX XXX XX XXXX XXXXX X XXX XXXXX + XXXX + + + + + diff --git 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b/tests/test_readers/data/agilent_txt/001F0137.D/DA.M/INFO.MTH differ diff --git a/tests/test_readers/data/agilent_txt/001F0137.D/DA.M/INJECTOR.MTH b/tests/test_readers/data/agilent_txt/001F0137.D/DA.M/INJECTOR.MTH new file mode 100644 index 0000000..0063e0d --- /dev/null +++ b/tests/test_readers/data/agilent_txt/001F0137.D/DA.M/INJECTOR.MTH @@ -0,0 +1,3 @@ +[Injector] +_InjectionSource$=Valve +_MethodInjectors=1 diff --git a/tests/test_readers/data/agilent_txt/001F0137.D/DA.M/RECALIB.MTH b/tests/test_readers/data/agilent_txt/001F0137.D/DA.M/RECALIB.MTH new file mode 100644 index 0000000..144d198 Binary files /dev/null and b/tests/test_readers/data/agilent_txt/001F0137.D/DA.M/RECALIB.MTH differ diff --git a/tests/test_readers/data/agilent_txt/001F0137.D/DA.M/RapidControl.InstrumentConfig.xml b/tests/test_readers/data/agilent_txt/001F0137.D/DA.M/RapidControl.InstrumentConfig.xml new file mode 100644 index 0000000..ebe4736 --- /dev/null +++ b/tests/test_readers/data/agilent_txt/001F0137.D/DA.M/RapidControl.InstrumentConfig.xml @@ -0,0 +1,21 @@ + + + + + + LAN_IP +
192.168.0.2
+ 9100 + false +
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XX X XXX XX XXXXXXX XX X XX + XX XX XX XX XX XX XX + XXXX XXX XXX XXXXX XXX XXX + + + + XXXXXX X X XX + XX X XX XX + XX XXXXX XXXXX XXXXX XXX XXXX XX XXX + XXXXX XX X XX XX XX XX XXX XX + XX XX XXXXXX XX XX XX XX XX XX + X XX XX XX X XX XX XX XX XX XX XX XX + XXXXXX XXX XXXXX X XXX XXXX XXXX XX XX + + + + X + XX XXX XXXXX XX XXX XXXX XX XXX XXXXX + XXX XX XX X XX XX XX XX XXX XX XX + XX XXXXXXX XX XX XX XX XX XX + XX XX XXXXX XX XX XX XX XX + XXXX XXXXX XX XXXX XXXX XXX + XXXX + + + + XXX XXX + XX XX + XX XXXXX XXXXX XX XXXXX XX XXX + XX XXX XX X X XXXXX XX X XXX XX + XXX XX XXXXXXX XXXXXX XX XX XXXXXXX XX + XX XX XX X XX XX XX XX XX + XXX XXX XXXXX XXXXX X XXXX X XXXXX XXXX + + + + X XXX X + XX XX XX + XXXXX XXXXX XXX XX XX XXX XX XXXXX XXXXX XXXXX + XX XX X XX X XX XX XX XX X XX XX X + XX XXXXXXX XX X XX XX XX XX XXXXXX XX XXXXXXX + XX XX XX XX XX XXXXX XX X XX XX XX XX + XXX XXXXX XXX XXX XX XXXX XXXXX X XXX XXXXX + XXXX + + + + + diff --git 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b/tests/test_readers/data/agilent_txt/001F0138.D/DA.M/AGILENT/HP6890GC1.RapidControl.MethodMetaData.xml differ diff --git a/tests/test_readers/data/agilent_txt/001F0138.D/DA.M/AGILENT/HP6890GC1.RapidControl.MethodXML.xml b/tests/test_readers/data/agilent_txt/001F0138.D/DA.M/AGILENT/HP6890GC1.RapidControl.MethodXML.xml new file mode 100644 index 0000000..dcdc3dc Binary files /dev/null and b/tests/test_readers/data/agilent_txt/001F0138.D/DA.M/AGILENT/HP6890GC1.RapidControl.MethodXML.xml differ diff --git a/tests/test_readers/data/agilent_txt/001F0138.D/DA.M/DAMETHOD.REG b/tests/test_readers/data/agilent_txt/001F0138.D/DA.M/DAMETHOD.REG new file mode 100644 index 0000000..c33c1eb Binary files /dev/null and b/tests/test_readers/data/agilent_txt/001F0138.D/DA.M/DAMETHOD.REG differ diff --git a/tests/test_readers/data/agilent_txt/001F0138.D/DA.M/INFO.MTH b/tests/test_readers/data/agilent_txt/001F0138.D/DA.M/INFO.MTH new file mode 100644 index 0000000..d9d38b7 Binary files /dev/null and b/tests/test_readers/data/agilent_txt/001F0138.D/DA.M/INFO.MTH differ diff --git a/tests/test_readers/data/agilent_txt/001F0138.D/DA.M/INJECTOR.MTH b/tests/test_readers/data/agilent_txt/001F0138.D/DA.M/INJECTOR.MTH new file mode 100644 index 0000000..0063e0d --- /dev/null +++ b/tests/test_readers/data/agilent_txt/001F0138.D/DA.M/INJECTOR.MTH @@ -0,0 +1,3 @@ +[Injector] +_InjectionSource$=Valve +_MethodInjectors=1 diff --git a/tests/test_readers/data/agilent_txt/001F0138.D/DA.M/RECALIB.MTH b/tests/test_readers/data/agilent_txt/001F0138.D/DA.M/RECALIB.MTH new file mode 100644 index 0000000..144d198 Binary files /dev/null and b/tests/test_readers/data/agilent_txt/001F0138.D/DA.M/RECALIB.MTH differ diff --git a/tests/test_readers/data/agilent_txt/001F0138.D/DA.M/RapidControl.InstrumentConfig.xml b/tests/test_readers/data/agilent_txt/001F0138.D/DA.M/RapidControl.InstrumentConfig.xml new file mode 100644 index 0000000..ebe4736 --- /dev/null +++ b/tests/test_readers/data/agilent_txt/001F0138.D/DA.M/RapidControl.InstrumentConfig.xml @@ -0,0 +1,21 @@ + + + + + + LAN_IP +
192.168.0.2
+ 9100 + false +
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XX X XXX XX XXXXXXX XX X XX + XX XX XX XX XX XX XX + XXXX XXX XXX XXXXX XXX XXX + + + + XXXXXX X X XX + XX X XX XX + XX XXXXX XXXXX XXXXX XXX XXXX XX XXX + XXXXX XX X XX XX XX XX XXX XX + XX XX XXXXXX XX XX XX XX XX XX + X XX XX XX X XX XX XX XX XX XX XX XX + XXXXXX XXX XXXXX X XXX XXXX XXXX XX XX + + + + X + XX XXX XXXXX XX XXX XXXX XX XXX XXXXX + XXX XX XX X XX XX XX XX XXX XX XX + XX XXXXXXX XX XX XX XX XX XX + XX XX XXXXX XX XX XX XX XX + XXXX XXXXX XX XXXX XXXX XXX + XXXX + + + + XXX XXX + XX XX + XX XXXXX XXXXX XX XXXXX XX XXX + XX XXX XX X X XXXXX XX X XXX XX + XXX XX XXXXXXX XXXXXX XX XX XXXXXXX XX + XX XX XX X XX XX XX XX XX + XXX XXX XXXXX XXXXX X XXXX X XXXXX XXXX + + + + X XXX X + XX XX XX + XXXXX XXXXX XXX XX XX XXX XX XXXXX XXXXX XXXXX + XX XX X XX X XX XX XX XX X XX XX X + XX XXXXXXX XX X XX XX XX XX XXXXXX XX XXXXXXX + XX XX XX XX XX XXXXX XX X XX XX XX XX + XXX XXXXX XXX XXX XX XXXX XXXXX X XXX XXXXX + XXXX + + + + + diff --git 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b/tests/test_readers/data/agilent_txt/001F0139.D/DA.M/INFO.MTH differ diff --git a/tests/test_readers/data/agilent_txt/001F0139.D/DA.M/INJECTOR.MTH b/tests/test_readers/data/agilent_txt/001F0139.D/DA.M/INJECTOR.MTH new file mode 100644 index 0000000..0063e0d --- /dev/null +++ b/tests/test_readers/data/agilent_txt/001F0139.D/DA.M/INJECTOR.MTH @@ -0,0 +1,3 @@ +[Injector] +_InjectionSource$=Valve +_MethodInjectors=1 diff --git a/tests/test_readers/data/agilent_txt/001F0139.D/DA.M/RECALIB.MTH b/tests/test_readers/data/agilent_txt/001F0139.D/DA.M/RECALIB.MTH new file mode 100644 index 0000000..144d198 Binary files /dev/null and b/tests/test_readers/data/agilent_txt/001F0139.D/DA.M/RECALIB.MTH differ diff --git a/tests/test_readers/data/agilent_txt/001F0139.D/DA.M/RapidControl.InstrumentConfig.xml b/tests/test_readers/data/agilent_txt/001F0139.D/DA.M/RapidControl.InstrumentConfig.xml new file mode 100644 index 0000000..ebe4736 --- /dev/null +++ b/tests/test_readers/data/agilent_txt/001F0139.D/DA.M/RapidControl.InstrumentConfig.xml @@ -0,0 +1,21 @@ + + + + + + LAN_IP +
192.168.0.2
+ 9100 + false +
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b/tests/test_readers/data/agilent_txt/001F0140.D/DA.M/INFO.MTH differ diff --git a/tests/test_readers/data/agilent_txt/001F0140.D/DA.M/INJECTOR.MTH b/tests/test_readers/data/agilent_txt/001F0140.D/DA.M/INJECTOR.MTH new file mode 100644 index 0000000..0063e0d --- /dev/null +++ b/tests/test_readers/data/agilent_txt/001F0140.D/DA.M/INJECTOR.MTH @@ -0,0 +1,3 @@ +[Injector] +_InjectionSource$=Valve +_MethodInjectors=1 diff --git a/tests/test_readers/data/agilent_txt/001F0140.D/DA.M/RECALIB.MTH b/tests/test_readers/data/agilent_txt/001F0140.D/DA.M/RECALIB.MTH new file mode 100644 index 0000000..144d198 Binary files /dev/null and b/tests/test_readers/data/agilent_txt/001F0140.D/DA.M/RECALIB.MTH differ diff --git a/tests/test_readers/data/agilent_txt/001F0140.D/DA.M/RapidControl.InstrumentConfig.xml b/tests/test_readers/data/agilent_txt/001F0140.D/DA.M/RapidControl.InstrumentConfig.xml new file mode 100644 index 0000000..ebe4736 --- /dev/null +++ b/tests/test_readers/data/agilent_txt/001F0140.D/DA.M/RapidControl.InstrumentConfig.xml @@ -0,0 +1,21 @@ + + + + + + LAN_IP +
192.168.0.2
+ 9100 + false +
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b/tests/test_readers/data/agilent_txt/001F0141.D/DA.M/INFO.MTH differ diff --git a/tests/test_readers/data/agilent_txt/001F0141.D/DA.M/INJECTOR.MTH b/tests/test_readers/data/agilent_txt/001F0141.D/DA.M/INJECTOR.MTH new file mode 100644 index 0000000..0063e0d --- /dev/null +++ b/tests/test_readers/data/agilent_txt/001F0141.D/DA.M/INJECTOR.MTH @@ -0,0 +1,3 @@ +[Injector] +_InjectionSource$=Valve +_MethodInjectors=1 diff --git a/tests/test_readers/data/agilent_txt/001F0141.D/DA.M/RECALIB.MTH b/tests/test_readers/data/agilent_txt/001F0141.D/DA.M/RECALIB.MTH new file mode 100644 index 0000000..144d198 Binary files /dev/null and b/tests/test_readers/data/agilent_txt/001F0141.D/DA.M/RECALIB.MTH differ diff --git a/tests/test_readers/data/agilent_txt/001F0141.D/DA.M/RapidControl.InstrumentConfig.xml b/tests/test_readers/data/agilent_txt/001F0141.D/DA.M/RapidControl.InstrumentConfig.xml new file mode 100644 index 0000000..ebe4736 --- /dev/null +++ b/tests/test_readers/data/agilent_txt/001F0141.D/DA.M/RapidControl.InstrumentConfig.xml @@ -0,0 +1,21 @@ + + + + + + LAN_IP +
192.168.0.2
+ 9100 + false +
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XX X XXX XX XXXXXXX XX X XX + XX XX XX XX XX XX XX + XXXX XXX XXX XXXXX XXX XXX + + + + XXXXXX X X XX + XX X XX XX + XX XXXXX XXXXX XXXXX XXX XXXX XX XXX + XXXXX XX X XX XX XX XX XXX XX + XX XX XXXXXX XX XX XX XX XX XX + X XX XX XX X XX XX XX XX XX XX XX XX + XXXXXX XXX XXXXX X XXX XXXX XXXX XX XX + + + + X + XX XXX XXXXX XX XXX XXXX XX XXX XXXXX + XXX XX XX X XX XX XX XX XXX XX XX + XX XXXXXXX XX XX XX XX XX XX + XX XX XXXXX XX XX XX XX XX + XXXX XXXXX XX XXXX XXXX XXX + XXXX + + + + XXX XXX + XX XX + XX XXXXX XXXXX XX XXXXX XX XXX + XX XXX XX X X XXXXX XX X XXX XX + XXX XX XXXXXXX XXXXXX XX XX XXXXXXX XX + XX XX XX X XX XX XX XX XX + XXX XXX XXXXX XXXXX X XXXX X XXXXX XXXX + + + + X XXX X + XX XX XX + XXXXX XXXXX XXX XX XX XXX XX XXXXX XXXXX XXXXX + XX XX X XX X XX XX XX XX X XX XX X + XX XXXXXXX XX X XX XX XX XX XXXXXX XX XXXXXXX + XX XX XX XX XX XXXXX XX X XX XX XX XX + XXX XXXXX XXX XXX XX XXXX XXXXX X XXX XXXXX + XXXX + + + + + diff --git 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b/tests/test_readers/data/agilent_txt/001F0142.D/DA.M/AGILENT/HP6890GC1.RapidControl.MethodMetaData.xml differ diff --git a/tests/test_readers/data/agilent_txt/001F0142.D/DA.M/AGILENT/HP6890GC1.RapidControl.MethodXML.xml b/tests/test_readers/data/agilent_txt/001F0142.D/DA.M/AGILENT/HP6890GC1.RapidControl.MethodXML.xml new file mode 100644 index 0000000..dcdc3dc Binary files /dev/null and b/tests/test_readers/data/agilent_txt/001F0142.D/DA.M/AGILENT/HP6890GC1.RapidControl.MethodXML.xml differ diff --git a/tests/test_readers/data/agilent_txt/001F0142.D/DA.M/DAMETHOD.REG b/tests/test_readers/data/agilent_txt/001F0142.D/DA.M/DAMETHOD.REG new file mode 100644 index 0000000..1bd1a9e Binary files /dev/null and b/tests/test_readers/data/agilent_txt/001F0142.D/DA.M/DAMETHOD.REG differ diff --git a/tests/test_readers/data/agilent_txt/001F0142.D/DA.M/INFO.MTH b/tests/test_readers/data/agilent_txt/001F0142.D/DA.M/INFO.MTH new file mode 100644 index 0000000..d9d38b7 Binary files /dev/null and b/tests/test_readers/data/agilent_txt/001F0142.D/DA.M/INFO.MTH differ diff --git a/tests/test_readers/data/agilent_txt/001F0142.D/DA.M/INJECTOR.MTH b/tests/test_readers/data/agilent_txt/001F0142.D/DA.M/INJECTOR.MTH new file mode 100644 index 0000000..0063e0d --- /dev/null +++ b/tests/test_readers/data/agilent_txt/001F0142.D/DA.M/INJECTOR.MTH @@ -0,0 +1,3 @@ +[Injector] +_InjectionSource$=Valve +_MethodInjectors=1 diff --git a/tests/test_readers/data/agilent_txt/001F0142.D/DA.M/RECALIB.MTH b/tests/test_readers/data/agilent_txt/001F0142.D/DA.M/RECALIB.MTH new file mode 100644 index 0000000..144d198 Binary files /dev/null and b/tests/test_readers/data/agilent_txt/001F0142.D/DA.M/RECALIB.MTH differ diff --git a/tests/test_readers/data/agilent_txt/001F0142.D/DA.M/RapidControl.InstrumentConfig.xml b/tests/test_readers/data/agilent_txt/001F0142.D/DA.M/RapidControl.InstrumentConfig.xml new file mode 100644 index 0000000..ebe4736 --- /dev/null +++ b/tests/test_readers/data/agilent_txt/001F0142.D/DA.M/RapidControl.InstrumentConfig.xml @@ -0,0 +1,21 @@ + + + + + + LAN_IP +
192.168.0.2
+ 9100 + false +
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XX X XXX XX XXXXXXX XX X XX + XX XX XX XX XX XX XX + XXXX XXX XXX XXXXX XXX XXX + + + + XXXXXX X X XX + XX X XX XX + XX XXXXX XXXXX XXXXX XXX XXXX XX XXX + XXXXX XX X XX XX XX XX XXX XX + XX XX XXXXXX XX XX XX XX XX XX + X XX XX XX X XX XX XX XX XX XX XX XX + XXXXXX XXX XXXXX X XXX XXXX XXXX XX XX + + + + X + XX XXX XXXXX XX XXX XXXX XX XXX XXXXX + XXX XX XX X XX XX XX XX XXX XX XX + XX XXXXXXX XX XX XX XX XX XX + XX XX XXXXX XX XX XX XX XX + XXXX XXXXX XX XXXX XXXX XXX + XXXX + + + + XXX XXX + XX XX + XX XXXXX XXXXX XX XXXXX XX XXX + XX XXX XX X X XXXXX XX X XXX XX + XXX XX XXXXXXX XXXXXX XX XX XXXXXXX XX + XX XX XX X XX XX XX XX XX + XXX XXX XXXXX XXXXX X XXXX X XXXXX XXXX + + + + X XXX X + XX XX XX + XXXXX XXXXX XXX XX XX XXX XX XXXXX XXXXX XXXXX + XX XX X XX X XX XX XX XX X XX XX X + XX XXXXXXX XX X XX XX XX XX XXXXXX XX XXXXXXX + XX XX XX XX XX XXXXX XX X XX XX XX XX + XXX XXXXX XXX XXX XX XXXX XXXXX X XXX XXXXX + XXXX + + + + + diff --git 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b/tests/test_readers/data/agilent_txt/001F0143.D/DA.M/AGILENT/HP6890GC1.RapidControl.MethodMetaData.xml differ diff --git a/tests/test_readers/data/agilent_txt/001F0143.D/DA.M/AGILENT/HP6890GC1.RapidControl.MethodXML.xml b/tests/test_readers/data/agilent_txt/001F0143.D/DA.M/AGILENT/HP6890GC1.RapidControl.MethodXML.xml new file mode 100644 index 0000000..dcdc3dc Binary files /dev/null and b/tests/test_readers/data/agilent_txt/001F0143.D/DA.M/AGILENT/HP6890GC1.RapidControl.MethodXML.xml differ diff --git a/tests/test_readers/data/agilent_txt/001F0143.D/DA.M/DAMETHOD.REG b/tests/test_readers/data/agilent_txt/001F0143.D/DA.M/DAMETHOD.REG new file mode 100644 index 0000000..a1cea0b Binary files /dev/null and b/tests/test_readers/data/agilent_txt/001F0143.D/DA.M/DAMETHOD.REG differ diff --git a/tests/test_readers/data/agilent_txt/001F0143.D/DA.M/INFO.MTH b/tests/test_readers/data/agilent_txt/001F0143.D/DA.M/INFO.MTH new file mode 100644 index 0000000..d9d38b7 Binary files /dev/null and b/tests/test_readers/data/agilent_txt/001F0143.D/DA.M/INFO.MTH differ diff --git a/tests/test_readers/data/agilent_txt/001F0143.D/DA.M/INJECTOR.MTH b/tests/test_readers/data/agilent_txt/001F0143.D/DA.M/INJECTOR.MTH new file mode 100644 index 0000000..0063e0d --- /dev/null +++ b/tests/test_readers/data/agilent_txt/001F0143.D/DA.M/INJECTOR.MTH @@ -0,0 +1,3 @@ +[Injector] +_InjectionSource$=Valve +_MethodInjectors=1 diff --git a/tests/test_readers/data/agilent_txt/001F0143.D/DA.M/RECALIB.MTH b/tests/test_readers/data/agilent_txt/001F0143.D/DA.M/RECALIB.MTH new file mode 100644 index 0000000..144d198 Binary files /dev/null and b/tests/test_readers/data/agilent_txt/001F0143.D/DA.M/RECALIB.MTH differ diff --git a/tests/test_readers/data/agilent_txt/001F0143.D/DA.M/RapidControl.InstrumentConfig.xml b/tests/test_readers/data/agilent_txt/001F0143.D/DA.M/RapidControl.InstrumentConfig.xml new file mode 100644 index 0000000..ebe4736 --- /dev/null +++ b/tests/test_readers/data/agilent_txt/001F0143.D/DA.M/RapidControl.InstrumentConfig.xml @@ -0,0 +1,21 @@ + + + + + + LAN_IP +
192.168.0.2
+ 9100 + false +
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XX X XXX XX XXXXXXX XX X XX + XX XX XX XX XX XX XX + XXXX XXX XXX XXXXX XXX XXX + + + + XXXXXX X X XX + XX X XX XX + XX XXXXX XXXXX XXXXX XXX XXXX XX XXX + XXXXX XX X XX XX XX XX XXX XX + XX XX XXXXXX XX XX XX XX XX XX + X XX XX XX X XX XX XX XX XX XX XX XX + XXXXXX XXX XXXXX X XXX XXXX XXXX XX XX + + + + X + XX XXX XXXXX XX XXX XXXX XX XXX XXXXX + XXX XX XX X XX XX XX XX XXX XX XX + XX XXXXXXX XX XX XX XX XX XX + XX XX XXXXX XX XX XX XX XX + XXXX XXXXX XX XXXX XXXX XXX + XXXX + + + + XXX XXX + XX XX + XX XXXXX XXXXX XX XXXXX XX XXX + XX XXX XX X X XXXXX XX X XXX XX + XXX XX XXXXXXX XXXXXX XX XX XXXXXXX XX + XX XX XX X XX XX XX XX XX + XXX XXX XXXXX XXXXX X XXXX X XXXXX XXXX + + + + X XXX X + XX XX XX + XXXXX XXXXX XXX XX XX XXX XX XXXXX XXXXX XXXXX + XX XX X XX X XX XX XX XX X XX XX X + XX XXXXXXX XX X XX XX XX XX XXXXXX XX XXXXXXX + XX XX XX XX XX XXXXX XX X XX XX XX XX + XXX XXXXX XXX XXX XX XXXX XXXXX X XXX XXXXX + XXXX + + + + + diff --git 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b/tests/test_readers/data/agilent_txt/001F0144.D/DA.M/AGILENT/HP6890GC1.RapidControl.MethodMetaData.xml differ diff --git a/tests/test_readers/data/agilent_txt/001F0144.D/DA.M/AGILENT/HP6890GC1.RapidControl.MethodXML.xml b/tests/test_readers/data/agilent_txt/001F0144.D/DA.M/AGILENT/HP6890GC1.RapidControl.MethodXML.xml new file mode 100644 index 0000000..dcdc3dc Binary files /dev/null and b/tests/test_readers/data/agilent_txt/001F0144.D/DA.M/AGILENT/HP6890GC1.RapidControl.MethodXML.xml differ diff --git a/tests/test_readers/data/agilent_txt/001F0144.D/DA.M/DAMETHOD.REG b/tests/test_readers/data/agilent_txt/001F0144.D/DA.M/DAMETHOD.REG new file mode 100644 index 0000000..ab4c89f Binary files /dev/null and b/tests/test_readers/data/agilent_txt/001F0144.D/DA.M/DAMETHOD.REG differ diff --git a/tests/test_readers/data/agilent_txt/001F0144.D/DA.M/INFO.MTH b/tests/test_readers/data/agilent_txt/001F0144.D/DA.M/INFO.MTH new file mode 100644 index 0000000..d9d38b7 Binary files /dev/null and b/tests/test_readers/data/agilent_txt/001F0144.D/DA.M/INFO.MTH differ diff --git a/tests/test_readers/data/agilent_txt/001F0144.D/DA.M/INJECTOR.MTH b/tests/test_readers/data/agilent_txt/001F0144.D/DA.M/INJECTOR.MTH new file mode 100644 index 0000000..0063e0d --- /dev/null +++ b/tests/test_readers/data/agilent_txt/001F0144.D/DA.M/INJECTOR.MTH @@ -0,0 +1,3 @@ +[Injector] +_InjectionSource$=Valve +_MethodInjectors=1 diff --git a/tests/test_readers/data/agilent_txt/001F0144.D/DA.M/RECALIB.MTH b/tests/test_readers/data/agilent_txt/001F0144.D/DA.M/RECALIB.MTH new file mode 100644 index 0000000..144d198 Binary files /dev/null and b/tests/test_readers/data/agilent_txt/001F0144.D/DA.M/RECALIB.MTH differ diff --git a/tests/test_readers/data/agilent_txt/001F0144.D/DA.M/RapidControl.InstrumentConfig.xml b/tests/test_readers/data/agilent_txt/001F0144.D/DA.M/RapidControl.InstrumentConfig.xml new file mode 100644 index 0000000..ebe4736 --- /dev/null +++ b/tests/test_readers/data/agilent_txt/001F0144.D/DA.M/RapidControl.InstrumentConfig.xml @@ -0,0 +1,21 @@ + + + + + + LAN_IP +
192.168.0.2
+ 9100 + false +
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b/tests/test_readers/data/agilent_txt/001F0145.D/DA.M/INFO.MTH differ diff --git a/tests/test_readers/data/agilent_txt/001F0145.D/DA.M/INJECTOR.MTH b/tests/test_readers/data/agilent_txt/001F0145.D/DA.M/INJECTOR.MTH new file mode 100644 index 0000000..0063e0d --- /dev/null +++ b/tests/test_readers/data/agilent_txt/001F0145.D/DA.M/INJECTOR.MTH @@ -0,0 +1,3 @@ +[Injector] +_InjectionSource$=Valve +_MethodInjectors=1 diff --git a/tests/test_readers/data/agilent_txt/001F0145.D/DA.M/RECALIB.MTH b/tests/test_readers/data/agilent_txt/001F0145.D/DA.M/RECALIB.MTH new file mode 100644 index 0000000..144d198 Binary files /dev/null and b/tests/test_readers/data/agilent_txt/001F0145.D/DA.M/RECALIB.MTH differ diff --git a/tests/test_readers/data/agilent_txt/001F0145.D/DA.M/RapidControl.InstrumentConfig.xml b/tests/test_readers/data/agilent_txt/001F0145.D/DA.M/RapidControl.InstrumentConfig.xml new file mode 100644 index 0000000..ebe4736 --- /dev/null +++ b/tests/test_readers/data/agilent_txt/001F0145.D/DA.M/RapidControl.InstrumentConfig.xml @@ -0,0 +1,21 @@ + + + + + + LAN_IP +
192.168.0.2
+ 9100 + false +
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192.168.0.2
+ 9100 + false +
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b/tests/test_readers/data/agilent_txt/001F0146.D/DA.M/INFO.MTH differ diff --git a/tests/test_readers/data/agilent_txt/001F0146.D/DA.M/INJECTOR.MTH b/tests/test_readers/data/agilent_txt/001F0146.D/DA.M/INJECTOR.MTH new file mode 100644 index 0000000..0063e0d --- /dev/null +++ b/tests/test_readers/data/agilent_txt/001F0146.D/DA.M/INJECTOR.MTH @@ -0,0 +1,3 @@ +[Injector] +_InjectionSource$=Valve +_MethodInjectors=1 diff --git a/tests/test_readers/data/agilent_txt/001F0146.D/DA.M/RECALIB.MTH b/tests/test_readers/data/agilent_txt/001F0146.D/DA.M/RECALIB.MTH new file mode 100644 index 0000000..144d198 Binary files /dev/null and b/tests/test_readers/data/agilent_txt/001F0146.D/DA.M/RECALIB.MTH differ diff --git a/tests/test_readers/data/agilent_txt/001F0146.D/DA.M/RapidControl.InstrumentConfig.xml b/tests/test_readers/data/agilent_txt/001F0146.D/DA.M/RapidControl.InstrumentConfig.xml new file mode 100644 index 0000000..ebe4736 --- /dev/null +++ b/tests/test_readers/data/agilent_txt/001F0146.D/DA.M/RapidControl.InstrumentConfig.xml @@ -0,0 +1,21 @@ + + + + + + LAN_IP +
192.168.0.2
+ 9100 + false +
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XX X XXX XX XXXXXXX XX X XX + XX XX XX XX XX XX XX + XXXX XXX XXX XXXXX XXX XXX + + + + XXXXXX X X XX + XX X XX XX + XX XXXXX XXXXX XXXXX XXX XXXX XX XXX + XXXXX XX X XX XX XX XX XXX XX + XX XX XXXXXX XX XX XX XX XX XX + X XX XX XX X XX XX XX XX XX XX XX XX + XXXXXX XXX XXXXX X XXX XXXX XXXX XX XX + + + + X + XX XXX XXXXX XX XXX XXXX XX XXX XXXXX + XXX XX XX X XX XX XX XX XXX XX XX + XX XXXXXXX XX XX XX XX XX XX + XX XX XXXXX XX XX XX XX XX + XXXX XXXXX XX XXXX XXXX XXX + XXXX + + + + XXX XXX + XX XX + XX XXXXX XXXXX XX XXXXX XX XXX + XX XXX XX X X XXXXX XX X XXX XX + XXX XX XXXXXXX XXXXXX XX XX XXXXXXX XX + XX XX XX X XX XX XX XX XX + XXX XXX XXXXX XXXXX X XXXX X XXXXX XXXX + + + + X XXX X + XX XX XX + XXXXX XXXXX XXX XX XX XXX XX XXXXX XXXXX XXXXX + XX XX X XX X XX XX XX XX X XX XX X + XX XXXXXXX XX X XX XX XX XX XXXXXX XX XXXXXXX + XX XX XX XX XX XXXXX XX X XX XX XX XX + XXX XXXXX XXX XXX XX XXXX XXXXX X XXX XXXXX + XXXX + + + + + diff --git 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b/tests/test_readers/data/agilent_txt/001F0147.D/DA.M/INFO.MTH differ diff --git a/tests/test_readers/data/agilent_txt/001F0147.D/DA.M/INJECTOR.MTH b/tests/test_readers/data/agilent_txt/001F0147.D/DA.M/INJECTOR.MTH new file mode 100644 index 0000000..0063e0d --- /dev/null +++ b/tests/test_readers/data/agilent_txt/001F0147.D/DA.M/INJECTOR.MTH @@ -0,0 +1,3 @@ +[Injector] +_InjectionSource$=Valve +_MethodInjectors=1 diff --git a/tests/test_readers/data/agilent_txt/001F0147.D/DA.M/RECALIB.MTH b/tests/test_readers/data/agilent_txt/001F0147.D/DA.M/RECALIB.MTH new file mode 100644 index 0000000..144d198 Binary files /dev/null and b/tests/test_readers/data/agilent_txt/001F0147.D/DA.M/RECALIB.MTH differ diff --git a/tests/test_readers/data/agilent_txt/001F0147.D/DA.M/RapidControl.InstrumentConfig.xml b/tests/test_readers/data/agilent_txt/001F0147.D/DA.M/RapidControl.InstrumentConfig.xml new file mode 100644 index 0000000..ebe4736 --- /dev/null +++ b/tests/test_readers/data/agilent_txt/001F0147.D/DA.M/RapidControl.InstrumentConfig.xml @@ -0,0 +1,21 @@ + + + + + + LAN_IP +
192.168.0.2
+ 9100 + false +
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XX X XXX XX XXXXXXX XX X XX + XX XX XX XX XX XX XX + XXXX XXX XXX XXXXX XXX XXX + + + + XXXXXX X X XX + XX X XX XX + XX XXXXX XXXXX XXXXX XXX XXXX XX XXX + XXXXX XX X XX XX XX XX XXX XX + XX XX XXXXXX XX XX XX XX XX XX + X XX XX XX X XX XX XX XX XX XX XX XX + XXXXXX XXX XXXXX X XXX XXXX XXXX XX XX + + + + X + XX XXX XXXXX XX XXX XXXX XX XXX XXXXX + XXX XX XX X XX XX XX XX XXX XX XX + XX XXXXXXX XX XX XX XX XX XX + XX XX XXXXX XX XX XX XX XX + XXXX XXXXX XX XXXX XXXX XXX + XXXX + + + + XXX XXX + XX XX + XX XXXXX XXXXX XX XXXXX XX XXX + XX XXX XX X X XXXXX XX X XXX XX + XXX XX XXXXXXX XXXXXX XX XX XXXXXXX XX + XX XX XX X XX XX XX XX XX + XXX XXX XXXXX XXXXX X XXXX X XXXXX XXXX + + + + X XXX X + XX XX XX + XXXXX XXXXX XXX XX XX XXX XX XXXXX XXXXX XXXXX + XX XX X XX X XX XX XX XX X XX XX X + XX XXXXXXX XX X XX XX XX XX XXXXXX XX XXXXXXX + XX XX XX XX XX XXXXX XX X XX XX XX XX + XXX XXXXX XXX XXX XX XXXX XXXXX X XXX XXXXX + XXXX + + + + + diff --git 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b/tests/test_readers/data/agilent_txt/001F0148.D/DA.M/INFO.MTH differ diff --git a/tests/test_readers/data/agilent_txt/001F0148.D/DA.M/INJECTOR.MTH b/tests/test_readers/data/agilent_txt/001F0148.D/DA.M/INJECTOR.MTH new file mode 100644 index 0000000..0063e0d --- /dev/null +++ b/tests/test_readers/data/agilent_txt/001F0148.D/DA.M/INJECTOR.MTH @@ -0,0 +1,3 @@ +[Injector] +_InjectionSource$=Valve +_MethodInjectors=1 diff --git a/tests/test_readers/data/agilent_txt/001F0148.D/DA.M/RECALIB.MTH b/tests/test_readers/data/agilent_txt/001F0148.D/DA.M/RECALIB.MTH new file mode 100644 index 0000000..144d198 Binary files /dev/null and b/tests/test_readers/data/agilent_txt/001F0148.D/DA.M/RECALIB.MTH differ diff --git a/tests/test_readers/data/agilent_txt/001F0148.D/DA.M/RapidControl.InstrumentConfig.xml b/tests/test_readers/data/agilent_txt/001F0148.D/DA.M/RapidControl.InstrumentConfig.xml new file mode 100644 index 0000000..ebe4736 --- /dev/null +++ b/tests/test_readers/data/agilent_txt/001F0148.D/DA.M/RapidControl.InstrumentConfig.xml @@ -0,0 +1,21 @@ + + + + + + LAN_IP +
192.168.0.2
+ 9100 + false +
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192.168.0.2
+ 9100 + false +
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XX X XXX XX XXXXXXX XX X XX + XX XX XX XX XX XX XX + XXXX XXX XXX XXXXX XXX XXX + + + + XXXXXX X X XX + XX X XX XX + XX XXXXX XXXXX XXXXX XXX XXXX XX XXX + XXXXX XX X XX XX XX XX XXX XX + XX XX XXXXXX XX XX XX XX XX XX + X XX XX XX X XX XX XX XX XX XX XX XX + XXXXXX XXX XXXXX X XXX XXXX XXXX XX XX + + + + X + XX XXX XXXXX XX XXX XXXX XX XXX XXXXX + XXX XX XX X XX XX XX XX XXX XX XX + XX XXXXXXX XX XX XX XX XX XX + XX XX XXXXX XX XX XX XX XX + XXXX XXXXX XX XXXX XXXX XXX + XXXX + + + + XXX XXX + XX XX + XX XXXXX XXXXX XX XXXXX XX XXX + XX XXX XX X X XXXXX XX X XXX XX + XXX XX XXXXXXX XXXXXX XX XX XXXXXXX XX + XX XX XX X XX XX XX XX XX + XXX XXX XXXXX XXXXX X XXXX X XXXXX XXXX + + + + X XXX X + XX XX XX + XXXXX XXXXX XXX XX XX XXX XX XXXXX XXXXX XXXXX + XX XX X XX X XX XX XX XX X XX XX X + XX XXXXXXX XX X XX XX XX XX XXXXXX XX XXXXXXX + XX XX XX XX XX XXXXX XX X XX XX XX XX + XXX XXXXX XXX XXX XX XXXX XXXXX X XXX XXXXX + XXXX + + + + + diff --git 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b/tests/test_readers/data/agilent_txt/001F0149.D/DA.M/INFO.MTH differ diff --git a/tests/test_readers/data/agilent_txt/001F0149.D/DA.M/INJECTOR.MTH b/tests/test_readers/data/agilent_txt/001F0149.D/DA.M/INJECTOR.MTH new file mode 100644 index 0000000..0063e0d --- /dev/null +++ b/tests/test_readers/data/agilent_txt/001F0149.D/DA.M/INJECTOR.MTH @@ -0,0 +1,3 @@ +[Injector] +_InjectionSource$=Valve +_MethodInjectors=1 diff --git a/tests/test_readers/data/agilent_txt/001F0149.D/DA.M/RECALIB.MTH b/tests/test_readers/data/agilent_txt/001F0149.D/DA.M/RECALIB.MTH new file mode 100644 index 0000000..144d198 Binary files /dev/null and b/tests/test_readers/data/agilent_txt/001F0149.D/DA.M/RECALIB.MTH differ diff --git a/tests/test_readers/data/agilent_txt/001F0149.D/DA.M/RapidControl.InstrumentConfig.xml b/tests/test_readers/data/agilent_txt/001F0149.D/DA.M/RapidControl.InstrumentConfig.xml new file mode 100644 index 0000000..ebe4736 --- /dev/null +++ b/tests/test_readers/data/agilent_txt/001F0149.D/DA.M/RapidControl.InstrumentConfig.xml @@ -0,0 +1,21 @@ + + + + + + LAN_IP +
192.168.0.2
+ 9100 + false +
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192.168.0.2
+ 9100 + false +
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b/tests/test_readers/data/agilent_txt/001F0150.D/DA.M/INFO.MTH differ diff --git a/tests/test_readers/data/agilent_txt/001F0150.D/DA.M/INJECTOR.MTH b/tests/test_readers/data/agilent_txt/001F0150.D/DA.M/INJECTOR.MTH new file mode 100644 index 0000000..0063e0d --- /dev/null +++ b/tests/test_readers/data/agilent_txt/001F0150.D/DA.M/INJECTOR.MTH @@ -0,0 +1,3 @@ +[Injector] +_InjectionSource$=Valve +_MethodInjectors=1 diff --git a/tests/test_readers/data/agilent_txt/001F0150.D/DA.M/RECALIB.MTH b/tests/test_readers/data/agilent_txt/001F0150.D/DA.M/RECALIB.MTH new file mode 100644 index 0000000..144d198 Binary files /dev/null and b/tests/test_readers/data/agilent_txt/001F0150.D/DA.M/RECALIB.MTH differ diff --git a/tests/test_readers/data/agilent_txt/001F0150.D/DA.M/RapidControl.InstrumentConfig.xml b/tests/test_readers/data/agilent_txt/001F0150.D/DA.M/RapidControl.InstrumentConfig.xml new file mode 100644 index 0000000..ebe4736 --- /dev/null +++ b/tests/test_readers/data/agilent_txt/001F0150.D/DA.M/RapidControl.InstrumentConfig.xml @@ -0,0 +1,21 @@ + + + + + + LAN_IP +
192.168.0.2
+ 9100 + false +
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UV_VIS_1 + +Sample Information: +Datasource BCI-BPT-PC19_local +Sequence HPLC\2_Data\ISA\Daten\20230131 Nr.23-25.SEQ +Sample A 0,5 mM +Sample Number 30 +Sample Position RD2 +Sample ID 19 +Comment +QNT method 20211221_neue Methode 1mAUmin +PGM file 20230109_isokratisch_Methode_49Min +Type standard +Status finished +Date 02.02.2023 +Time 15:20:12 +Injection Volume (µl) 10,00 +Dilution Factor 1,000000 +Amount 1,000000 +Weight 1,000000 + +Raw Data Header Information: +Time Min. (min) 0,000 +Time Max. (min) 44,000 +Raw-Time Min. (min) 0,000 +Raw-Time Max. (min) 44,000 +Data Points 26401 +Detector VWD3000.dll +Preferred Read Mode Unknown +Write Mode Unknown +Data System Chromeleon +Version High 06 +Version Low 80 +Build No. 3160 +File Format Version 11 +Generation Type 8 +File ID 239054205 +File Status 16 +GUID 439fa3d2-a304-11ed-b769-e454e899b46a +Signal Factor 0,000010 +Signal Dimension mAU +Signal Unit Absorbance +Signal Min. -2,98345 +Signal Max. 323,038720 +Channel Name UV_VIS_1 +Driver Name VWD-3x00(RS) Detector +Min. Step 10 +Max. 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1 mM.txt @@ -0,0 +1,26478 @@ +Filepath C:\Chromel\data\HPLC\2_Data\ISA\Daten\20230131 Nr.23-25.SEQ\UV_VIS_1.CHL\20.acd +Channel UV_VIS_1 + +Sample Information: +Datasource BCI-BPT-PC19_local +Sequence HPLC\2_Data\ISA\Daten\20230131 Nr.23-25.SEQ +Sample A 1,0 mM +Sample Number 31 +Sample Position RD3 +Sample ID 20 +Comment +QNT method 20211221_neue Methode 1mAUmin +PGM file 20230109_isokratisch_Methode_49Min +Type standard +Status finished +Date 02.02.2023 +Time 16:12:23 +Injection Volume (µl) 10,00 +Dilution Factor 1,000000 +Amount 1,000000 +Weight 1,000000 + +Raw Data Header Information: +Time Min. (min) 0,000 +Time Max. (min) 44,000 +Raw-Time Min. (min) 0,000 +Raw-Time Max. (min) 44,000 +Data Points 26401 +Detector VWD3000.dll +Preferred Read Mode Unknown +Write Mode Unknown +Data System Chromeleon +Version High 06 +Version Low 80 +Build No. 3160 +File Format Version 11 +Generation Type 8 +File ID 239054205 +File Status 16 +GUID 8ce9b975-a30b-11ed-b769-e454e899b46a +Signal Factor 0,000010 +Signal Dimension mAU +Signal Unit Absorbance +Signal Min. -2,8254 +Signal Max. 576,766300 +Channel Name UV_VIS_1 +Driver Name VWD-3x00(RS) Detector +Min. Step 10 +Max. Step 10 +Average Step 10 + +Signal Parameter Information: +Signal Info WVL:254 nm +Wavelength 254 nm + + + + + + + + + + + + + + + + + + + + + +Raw Data: +Time(min) Step(sec) Value(mAU) +0,000000 0,00 0,125090 +0,001667 0,10 0,125010 +0,003333 0,10 0,124540 +0,005000 0,10 0,124710 +0,006667 0,10 0,123320 +0,008333 0,10 0,123160 +0,010000 0,10 0,124340 +0,011667 0,10 0,126170 +0,013333 0,10 0,126310 +0,015000 0,10 0,126600 +0,016667 0,10 0,127200 +0,018333 0,10 0,127500 +0,020000 0,10 0,126940 +0,021667 0,10 0,126140 +0,023333 0,10 0,126400 +0,025000 0,10 0,125740 +0,026667 0,10 0,125020 +0,028333 0,10 0,125100 +0,030000 0,10 0,124570 +0,031667 0,10 0,124310 +0,033333 0,10 0,125120 +0,035000 0,10 0,126580 +0,036667 0,10 0,125940 +0,038333 0,10 0,126180 +0,040000 0,10 0,126300 +0,041667 0,10 0,127500 +0,043333 0,10 0,127930 +0,045000 0,10 0,128100 +0,046667 0,10 0,127910 +0,048333 0,10 0,127510 +0,050000 0,10 0,127170 +0,051667 0,10 0,128220 +0,053333 0,10 0,128530 +0,055000 0,10 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file mode 100644 index 0000000..218391f --- /dev/null +++ b/tests/test_readers/data/chromeleon/Adenosine Stadards_ 1.5 mM.txt @@ -0,0 +1,26478 @@ +Filepath C:\Chromel\data\HPLC\2_Data\ISA\Daten\20230131 Nr.23-25.SEQ\UV_VIS_1.CHL\21.acd +Channel UV_VIS_1 + +Sample Information: +Datasource BCI-BPT-PC19_local +Sequence HPLC\2_Data\ISA\Daten\20230131 Nr.23-25.SEQ +Sample A 1,5 mM +Sample Number 32 +Sample Position RD4 +Sample ID 21 +Comment +QNT method 20211221_neue Methode 1mAUmin +PGM file 20230109_isokratisch_Methode_49Min +Type standard +Status finished +Date 02.02.2023 +Time 17:04:32 +Injection Volume (µl) 10,00 +Dilution Factor 1,000000 +Amount 1,000000 +Weight 1,000000 + +Raw Data Header Information: +Time Min. (min) 0,000 +Time Max. (min) 44,000 +Raw-Time Min. (min) 0,000 +Raw-Time Max. (min) 44,000 +Data Points 26401 +Detector VWD3000.dll +Preferred Read Mode Unknown +Write Mode Unknown +Data System Chromeleon +Version High 06 +Version Low 80 +Build No. 3160 +File Format Version 11 +Generation Type 8 +File ID 239054205 +File Status 16 +GUID d6e74f56-a312-11ed-b769-e454e899b46a +Signal Factor 0,000010 +Signal Dimension mAU +Signal Unit Absorbance +Signal Min. -2,88614 +Signal Max. 816,858800 +Channel Name UV_VIS_1 +Driver Name VWD-3x00(RS) Detector +Min. Step 10 +Max. 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HPLC\2_Data\ISA\Daten\20230131 Nr.23-25.SEQ +Sample A 2,0 mM +Sample Number 33 +Sample Position RD5 +Sample ID 22 +Comment +QNT method 20211221_neue Methode 1mAUmin +PGM file 20230109_isokratisch_Methode_49Min +Type standard +Status finished +Date 02.02.2023 +Time 17:56:42 +Injection Volume (µl) 10,00 +Dilution Factor 1,000000 +Amount 1,000000 +Weight 1,000000 + +Raw Data Header Information: +Time Min. (min) 0,000 +Time Max. (min) 44,000 +Raw-Time Min. (min) 0,000 +Raw-Time Max. (min) 44,000 +Data Points 26401 +Detector VWD3000.dll +Preferred Read Mode Unknown +Write Mode Unknown +Data System Chromeleon +Version High 06 +Version Low 80 +Build No. 3160 +File Format Version 11 +Generation Type 8 +File ID 239054205 +File Status 16 +GUID 1fa9859f-a31a-11ed-b769-e454e899b46a +Signal Factor 0,000010 +Signal Dimension mAU +Signal Unit Absorbance +Signal Min. -3,01182 +Signal Max. 1121,507100 +Channel Name UV_VIS_1 +Driver Name VWD-3x00(RS) Detector +Min. Step 10 +Max. 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C:\Chromel\data\HPLC\2_Data\ISA\Daten\20230131 Nr.23-25.SEQ\UV_VIS_1.CHL\23.acd +Channel UV_VIS_1 + +Sample Information: +Datasource BCI-BPT-PC19_local +Sequence HPLC\2_Data\ISA\Daten\20230131 Nr.23-25.SEQ +Sample A 2,5 mM +Sample Number 34 +Sample Position RD6 +Sample ID 23 +Comment +QNT method 20211221_neue Methode 1mAUmin +PGM file 20230109_isokratisch_Methode_49Min +Type standard +Status finished +Date 02.02.2023 +Time 18:48:52 +Injection Volume (µl) 10,00 +Dilution Factor 1,000000 +Amount 1,000000 +Weight 1,000000 + +Raw Data Header Information: +Time Min. (min) 0,000 +Time Max. (min) 44,000 +Raw-Time Min. (min) 0,000 +Raw-Time Max. (min) 44,000 +Data Points 26401 +Detector VWD3000.dll +Preferred Read Mode Unknown +Write Mode Unknown +Data System Chromeleon +Version High 06 +Version Low 80 +Build No. 3160 +File Format Version 11 +Generation Type 8 +File ID 239054205 +File Status 16 +GUID 69586248-a321-11ed-b769-e454e899b46a +Signal Factor 0,000010 +Signal Dimension mAU +Signal Unit Absorbance +Signal Min. -2,78272 +Signal Max. 1337,126440 +Channel Name UV_VIS_1 +Driver Name VWD-3x00(RS) Detector +Min. Step 10 +Max. 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0,10 -0,680830 +43,981667 0,10 -0,681510 +43,983333 0,10 -0,681580 +43,985000 0,10 -0,680910 +43,986667 0,10 -0,680610 +43,988333 0,10 -0,680120 +43,990000 0,10 -0,680210 +43,991667 0,10 -0,679630 +43,993333 0,10 -0,679960 +43,995000 0,10 -0,679970 +43,996667 0,10 -0,680680 +43,998333 0,10 -0,681290 +44,000000 0,10 -0,681470 diff --git a/tests/test_readers/data/chromeleon/Adenosine Stadards_ 3 mM.txt b/tests/test_readers/data/chromeleon/Adenosine Stadards_ 3 mM.txt new file mode 100644 index 0000000..ea35d4c --- /dev/null +++ b/tests/test_readers/data/chromeleon/Adenosine Stadards_ 3 mM.txt @@ -0,0 +1,26478 @@ +Filepath C:\Chromel\data\HPLC\2_Data\ISA\Daten\20230131 Nr.23-25.SEQ\UV_VIS_1.CHL\24.acd +Channel UV_VIS_1 + +Sample Information: +Datasource BCI-BPT-PC19_local +Sequence HPLC\2_Data\ISA\Daten\20230131 Nr.23-25.SEQ +Sample A 3,0 mM +Sample Number 35 +Sample Position RD7 +Sample ID 24 +Comment +QNT method 20211221_neue Methode 1mAUmin +PGM file 20230109_isokratisch_Methode_49Min +Type standard +Status finished +Date 02.02.2023 +Time 19:41:02 +Injection Volume (µl) 10,00 +Dilution Factor 1,000000 +Amount 1,000000 +Weight 1,000000 + +Raw Data Header Information: +Time Min. (min) 0,000 +Time Max. (min) 44,000 +Raw-Time Min. (min) 0,000 +Raw-Time Max. (min) 44,000 +Data Points 26401 +Detector VWD3000.dll +Preferred Read Mode Unknown +Write Mode Unknown +Data System Chromeleon +Version High 06 +Version Low 80 +Build No. 3160 +File Format Version 11 +Generation Type 8 +File ID 239054205 +File Status 16 +GUID b2f41ffc-a328-11ed-b769-e454e899b46a +Signal Factor 0,000010 +Signal Dimension mAU +Signal Unit Absorbance +Signal Min. -2,77475 +Signal Max. 1647,585660 +Channel Name UV_VIS_1 +Driver Name VWD-3x00(RS) Detector +Min. Step 10 +Max. 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adicija\batch_21022012\EtAc\0.lcd +Output Date,12.12.2023. +Output Time,11:18:30 + +[File Information] +Type,Data File +Generated,21.2.2012. 13:16:32 +Generated by,Admin +Modified,21.2.2012. 13:33:38 +Modified by,Admin + +[Sample Information] +Operator Name,Admin +Acquired,21.2.2012. 13:16:57 +Sample Type,0:Unknown +Level,0 +Sample Name,0 +Sample ID, +ISTD Amount 1,1 +ISTD Amount 2,1 +ISTD Amount 3,1 +ISTD Amount 4,1 +ISTD Amount 5,1 +ISTD Amount 6,1 +ISTD Amount 7,1 +ISTD Amount 8,1 +ISTD Amount 9,1 +ISTD Amount 10,1 +ISTD Amount 11,1 +ISTD Amount 12,1 +ISTD Amount 13,1 +ISTD Amount 14,1 +ISTD Amount 15,1 +ISTD Amount 16,1 +ISTD Amount 17,1 +ISTD Amount 18,1 +ISTD Amount 19,1 +ISTD Amount 20,1 +ISTD Amount 21,1 +ISTD Amount 22,1 +ISTD Amount 23,1 +ISTD Amount 24,1 +ISTD Amount 25,1 +ISTD Amount 26,1 +ISTD Amount 27,1 +ISTD Amount 28,1 +ISTD Amount 29,1 +ISTD Amount 30,1 +ISTD Amount 31,1 +ISTD Amount 32,1 +Sample Amount,1 +Dilution Factor,1 +Vial#,1 +Injection Volume,20 + +[Original Files] +Data File,C:\LabSolutions\Data\aldolaze\Martina\aldolna adicija\batch_21022012\EtAc\0.lcd +Method File,C:\LabSolutions\Data\aldolaze\metoda3_2eluenta.lcm +Batch File,C:\LabSolutions\Data\aldolaze\Martina\baždarci\aldol-aldehid-01022012\lista.lcb +Report Format File,C:\LabSolutions\LCsolution\System\Default.lcr +Tuning File, + +[File Description] + + +[Configuration] +# of Detectors,2 +Detector ID,Detector A,AD2 +Detector Name,Detector A,AD2 +# of Channels,1,1 + +[Peak Table(Detector A-Ch1)] +# of Peaks,14 +Peak#,R.Time,I.Time,F.Time,Area,Height,A/H,Conc.,Mark,ID#,Name,k',Plate #,Plate Ht.,Tailing,Resolution,Sep.Factor,Conc. %,Norm Conc. +1,0.143,0.017,0.342,1278,107,11.9230,0.0000, ,,,0.000,4,41558.735,1.160,0.000,0.000,0.0000,0.0000 +2,2.677,2.600,2.842,7633,868,8.7930,0.0000, ,,,17.675,2267,66.156,1.540,9.621,0.000,0.0000,0.0000 +3,3.113,2.867,3.492,74069,3235,22.8950,0.0000, ,,,20.715,284,528.740,0.000,0.904,1.172,0.0000,0.0000 +4,3.674,3.492,4.225,62448,1896,32.9390,0.0000, 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13:16:57 +Sample Type,0:Unknown +Level,0 +Sample Name,0 +Sample ID, +ISTD Amount 1,1 +ISTD Amount 2,1 +ISTD Amount 3,1 +ISTD Amount 4,1 +ISTD Amount 5,1 +ISTD Amount 6,1 +ISTD Amount 7,1 +ISTD Amount 8,1 +ISTD Amount 9,1 +ISTD Amount 10,1 +ISTD Amount 11,1 +ISTD Amount 12,1 +ISTD Amount 13,1 +ISTD Amount 14,1 +ISTD Amount 15,1 +ISTD Amount 16,1 +ISTD Amount 17,1 +ISTD Amount 18,1 +ISTD Amount 19,1 +ISTD Amount 20,1 +ISTD Amount 21,1 +ISTD Amount 22,1 +ISTD Amount 23,1 +ISTD Amount 24,1 +ISTD Amount 25,1 +ISTD Amount 26,1 +ISTD Amount 27,1 +ISTD Amount 28,1 +ISTD Amount 29,1 +ISTD Amount 30,1 +ISTD Amount 31,1 +ISTD Amount 32,1 +Sample Amount,1 +Dilution Factor,1 +Vial#,1 +Injection Volume,20 + +[Original Files] +Data File,C:\LabSolutions\Data\aldolaze\Martina\aldolna adicija\batch_21022012\EtAc\0.lcd +Method File,C:\LabSolutions\Data\aldolaze\metoda3_2eluenta.lcm +Batch File,C:\LabSolutions\Data\aldolaze\Martina\baždarci\aldol-aldehid-01022012\lista.lcb +Report Format File,C:\LabSolutions\LCsolution\System\Default.lcr +Tuning File, + +[File Description] + + +[Configuration] +# of Detectors,2 +Detector ID,Detector A,AD2 +Detector Name,Detector A,AD2 +# of Channels,1,1 + +[Peak Table(Detector A-Ch1)] +# of Peaks,14 +Peak#,R.Time,I.Time,F.Time,Area,Height,A/H,Conc.,Mark,ID#,Name,k',Plate #,Plate Ht.,Tailing,Resolution,Sep.Factor,Conc. %,Norm Conc. +1,0.143,0.017,0.342,1278,107,11.9230,0.0000, ,,,0.000,4,41558.735,1.160,0.000,0.000,0.0000,0.0000 +2,2.677,2.600,2.842,7633,868,8.7930,0.0000, ,,,17.675,2267,66.156,1.540,9.621,0.000,0.0000,0.0000 +3,3.113,2.867,3.492,74069,3235,22.8950,0.0000, ,,,20.715,284,528.740,0.000,0.904,1.172,0.0000,0.0000 +4,3.674,3.492,4.225,62448,1896,32.9390,0.0000, V ,,,24.632,195,767.696,0.000,0.627,1.189,0.0000,0.0000 +5,4.541,4.225,4.858,61821,2075,29.7890,0.0000, V ,,,30.681,11,13168.368,0.000,0.270,1.246,0.0000,0.0000 +6,5.264,4.858,6.025,591150,23289,25.3830,0.0000, V ,,,35.719,1559,96.223,0.000,0.244,1.164,0.0000,0.0000 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+14.98333,20.59 + +[Fraction Collection Report] +# of Fractions,0 + diff --git a/tests/test_readers/data/shimadzu/Output-sample 4.txt b/tests/test_readers/data/shimadzu/Output-sample 4.txt new file mode 100644 index 0000000..710a100 --- /dev/null +++ b/tests/test_readers/data/shimadzu/Output-sample 4.txt @@ -0,0 +1,4659 @@ +[Header] +Application Name,LCsolution +Version,1.25 +Data File Name,C:\LabSolutions\Data\aldolaze\Martina\aldolna adicija\batch_21022012\EtAc\0.lcd +Output Date,12.12.2023. +Output Time,11:19:02 + +[File Information] +Type,Data File +Generated,21.2.2012. 13:16:32 +Generated by,Admin +Modified,21.2.2012. 13:33:38 +Modified by,Admin + +[Sample Information] +Operator Name,Admin +Acquired,21.2.2012. 13:16:57 +Sample Type,0:Unknown +Level,0 +Sample Name,0 +Sample ID, +ISTD Amount 1,1 +ISTD Amount 2,1 +ISTD Amount 3,1 +ISTD Amount 4,1 +ISTD Amount 5,1 +ISTD Amount 6,1 +ISTD Amount 7,1 +ISTD Amount 8,1 +ISTD Amount 9,1 +ISTD Amount 10,1 +ISTD Amount 11,1 +ISTD Amount 12,1 +ISTD Amount 13,1 +ISTD Amount 14,1 +ISTD Amount 15,1 +ISTD Amount 16,1 +ISTD Amount 17,1 +ISTD Amount 18,1 +ISTD Amount 19,1 +ISTD Amount 20,1 +ISTD Amount 21,1 +ISTD Amount 22,1 +ISTD Amount 23,1 +ISTD Amount 24,1 +ISTD Amount 25,1 +ISTD Amount 26,1 +ISTD Amount 27,1 +ISTD Amount 28,1 +ISTD Amount 29,1 +ISTD Amount 30,1 +ISTD Amount 31,1 +ISTD Amount 32,1 +Sample Amount,1 +Dilution Factor,1 +Vial#,1 +Injection Volume,20 + +[Original Files] +Data File,C:\LabSolutions\Data\aldolaze\Martina\aldolna adicija\batch_21022012\EtAc\0.lcd +Method File,C:\LabSolutions\Data\aldolaze\metoda3_2eluenta.lcm +Batch File,C:\LabSolutions\Data\aldolaze\Martina\baždarci\aldol-aldehid-01022012\lista.lcb +Report Format File,C:\LabSolutions\LCsolution\System\Default.lcr +Tuning File, + +[File Description] + + +[Configuration] +# of Detectors,2 +Detector ID,Detector A,AD2 +Detector Name,Detector A,AD2 +# of Channels,1,1 + +[Peak Table(Detector A-Ch1)] +# of Peaks,14 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0000000..04077f8 --- /dev/null +++ b/tests/test_readers/data/shimadzu/Output-sample 5.txt @@ -0,0 +1,4659 @@ +[Header] +Application Name,LCsolution +Version,1.25 +Data File Name,C:\LabSolutions\Data\aldolaze\Martina\aldolna adicija\batch_21022012\EtAc\0.lcd +Output Date,12.12.2023. +Output Time,11:19:13 + +[File Information] +Type,Data File +Generated,21.2.2012. 13:16:32 +Generated by,Admin +Modified,21.2.2012. 13:33:38 +Modified by,Admin + +[Sample Information] +Operator Name,Admin +Acquired,21.2.2012. 13:16:57 +Sample Type,0:Unknown +Level,0 +Sample Name,0 +Sample ID, +ISTD Amount 1,1 +ISTD Amount 2,1 +ISTD Amount 3,1 +ISTD Amount 4,1 +ISTD Amount 5,1 +ISTD Amount 6,1 +ISTD Amount 7,1 +ISTD Amount 8,1 +ISTD Amount 9,1 +ISTD Amount 10,1 +ISTD Amount 11,1 +ISTD Amount 12,1 +ISTD Amount 13,1 +ISTD Amount 14,1 +ISTD Amount 15,1 +ISTD Amount 16,1 +ISTD Amount 17,1 +ISTD Amount 18,1 +ISTD Amount 19,1 +ISTD Amount 20,1 +ISTD Amount 21,1 +ISTD Amount 22,1 +ISTD Amount 23,1 +ISTD Amount 24,1 +ISTD Amount 25,1 +ISTD Amount 26,1 +ISTD Amount 27,1 +ISTD Amount 28,1 +ISTD Amount 29,1 +ISTD Amount 30,1 +ISTD Amount 31,1 +ISTD Amount 32,1 +Sample Amount,1 +Dilution Factor,1 +Vial#,1 +Injection Volume,20 + +[Original Files] +Data File,C:\LabSolutions\Data\aldolaze\Martina\aldolna adicija\batch_21022012\EtAc\0.lcd +Method File,C:\LabSolutions\Data\aldolaze\metoda3_2eluenta.lcm +Batch File,C:\LabSolutions\Data\aldolaze\Martina\ba�darci\aldol-aldehid-01022012\lista.lcb +Report Format File,C:\LabSolutions\LCsolution\System\Default.lcr +Tuning File, + +[File Description] + + +[Configuration] +# of Detectors,2 +Detector ID,Detector A,AD2 +Detector Name,Detector A,AD2 +# of Channels,1,1 + +[Peak Table(Detector A-Ch1)] +# of Peaks,14 +Peak#,R.Time,I.Time,F.Time,Area,Height,A/H,Conc.,Mark,ID#,Name,k',Plate #,Plate Ht.,Tailing,Resolution,Sep.Factor,Conc. %,Norm Conc. +1,0.143,0.017,0.342,1278,107,11.9230,0.0000, ,,,0.000,4,41558.735,1.160,0.000,0.000,0.0000,0.0000 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+Output Time,11:19:25 + +[File Information] +Type,Data File +Generated,21.2.2012. 11:59:07 +Generated by,Admin +Modified,21.2.2012. 12:15:50 +Modified by,Admin + +[Sample Information] +Operator Name,Admin +Acquired,21.2.2012. 11:59:34 +Sample Type,0:Unknown +Level,0 +Sample Name,6 +Sample ID, +ISTD Amount 1,1 +ISTD Amount 2,1 +ISTD Amount 3,1 +ISTD Amount 4,1 +ISTD Amount 5,1 +ISTD Amount 6,1 +ISTD Amount 7,1 +ISTD Amount 8,1 +ISTD Amount 9,1 +ISTD Amount 10,1 +ISTD Amount 11,1 +ISTD Amount 12,1 +ISTD Amount 13,1 +ISTD Amount 14,1 +ISTD Amount 15,1 +ISTD Amount 16,1 +ISTD Amount 17,1 +ISTD Amount 18,1 +ISTD Amount 19,1 +ISTD Amount 20,1 +ISTD Amount 21,1 +ISTD Amount 22,1 +ISTD Amount 23,1 +ISTD Amount 24,1 +ISTD Amount 25,1 +ISTD Amount 26,1 +ISTD Amount 27,1 +ISTD Amount 28,1 +ISTD Amount 29,1 +ISTD Amount 30,1 +ISTD Amount 31,1 +ISTD Amount 32,1 +Sample Amount,1 +Dilution Factor,1 +Vial#,19 +Injection Volume,20 + +[Original Files] +Data File,C:\LabSolutions\Data\aldolaze\Martina\aldolna adicija\batch_21022012\EtAc\6.lcd +Method File,C:\LabSolutions\Data\aldolaze\metoda3_2eluenta.lcm +Batch File,C:\LabSolutions\Data\aldolaze\Martina\baždarci\aldol-aldehid-01022012\lista.lcb +Report Format File,C:\LabSolutions\LCsolution\System\Default.lcr +Tuning File, + +[File Description] + + +[Configuration] +# of Detectors,2 +Detector ID,Detector A,AD2 +Detector Name,Detector A,AD2 +# of Channels,1,1 + +[Peak Table(Detector A-Ch1)] +# of Peaks,14 +Peak#,R.Time,I.Time,F.Time,Area,Height,A/H,Conc.,Mark,ID#,Name,k',Plate #,Plate Ht.,Tailing,Resolution,Sep.Factor,Conc. %,Norm Conc. +1,0.670,0.617,1.033,1312,63,20.9670,0.0000, ,,,0.000,50,2972.592,4.085,0.000,0.000,0.0000,0.0000 +2,3.183,3.008,3.458,32522,1756,18.5170,0.0000, ,,,3.750,674,222.680,0.000,5.791,0.000,0.0000,0.0000 +3,3.723,3.458,3.758,27484,2450,11.2170,0.0000, V ,,,4.556,53,2833.980,0.000,0.426,1.215,0.0000,0.0000 +4,4.044,3.758,4.958,12987060,773457,16.7910,0.0000, V 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+15.00000,18.31 + +[Fraction Collection Report] +# of Fractions,0 + diff --git a/tests/test_readers/data/shimadzu/Output-sample 7.txt b/tests/test_readers/data/shimadzu/Output-sample 7.txt new file mode 100644 index 0000000..43aeb9c --- /dev/null +++ b/tests/test_readers/data/shimadzu/Output-sample 7.txt @@ -0,0 +1,4661 @@ +[Header] +Application Name,LCsolution +Version,1.25 +Data File Name,C:\LabSolutions\Data\aldolaze\Martina\aldolna adicija\batch_21022012\EtAc\7.lcd +Output Date,12.12.2023. +Output Time,11:19:36 + +[File Information] +Type,Data File +Generated,21.2.2012. 12:30:07 +Generated by,Admin +Modified,21.2.2012. 12:46:09 +Modified by,Admin + +[Sample Information] +Operator Name,Admin +Acquired,21.2.2012. 12:30:32 +Sample Type,0:Unknown +Level,0 +Sample Name,7 +Sample ID, +ISTD Amount 1,1 +ISTD Amount 2,1 +ISTD Amount 3,1 +ISTD Amount 4,1 +ISTD Amount 5,1 +ISTD Amount 6,1 +ISTD Amount 7,1 +ISTD Amount 8,1 +ISTD Amount 9,1 +ISTD Amount 10,1 +ISTD Amount 11,1 +ISTD Amount 12,1 +ISTD Amount 13,1 +ISTD Amount 14,1 +ISTD Amount 15,1 +ISTD Amount 16,1 +ISTD Amount 17,1 +ISTD Amount 18,1 +ISTD Amount 19,1 +ISTD Amount 20,1 +ISTD Amount 21,1 +ISTD Amount 22,1 +ISTD Amount 23,1 +ISTD Amount 24,1 +ISTD Amount 25,1 +ISTD Amount 26,1 +ISTD Amount 27,1 +ISTD Amount 28,1 +ISTD Amount 29,1 +ISTD Amount 30,1 +ISTD Amount 31,1 +ISTD Amount 32,1 +Sample Amount,1 +Dilution Factor,1 +Vial#,5 +Injection Volume,20 + +[Original Files] +Data File,C:\LabSolutions\Data\aldolaze\Martina\aldolna adicija\batch_21022012\EtAc\7.lcd +Method File,C:\LabSolutions\Data\aldolaze\metoda3_2eluenta.lcm +Batch File,C:\LabSolutions\Data\aldolaze\Martina\baždarci\aldol-aldehid-01022012\lista.lcb +Report Format File,C:\LabSolutions\LCsolution\System\Default.lcr +Tuning File, + +[File Description] + + +[Configuration] +# of Detectors,2 +Detector ID,Detector A,AD2 +Detector Name,Detector A,AD2 +# of Channels,1,1 + +[Peak Table(Detector A-Ch1)] +# of Peaks,12 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2,1 +ISTD Amount 3,1 +ISTD Amount 4,1 +ISTD Amount 5,1 +ISTD Amount 6,1 +ISTD Amount 7,1 +ISTD Amount 8,1 +ISTD Amount 9,1 +ISTD Amount 10,1 +ISTD Amount 11,1 +ISTD Amount 12,1 +ISTD Amount 13,1 +ISTD Amount 14,1 +ISTD Amount 15,1 +ISTD Amount 16,1 +ISTD Amount 17,1 +ISTD Amount 18,1 +ISTD Amount 19,1 +ISTD Amount 20,1 +ISTD Amount 21,1 +ISTD Amount 22,1 +ISTD Amount 23,1 +ISTD Amount 24,1 +ISTD Amount 25,1 +ISTD Amount 26,1 +ISTD Amount 27,1 +ISTD Amount 28,1 +ISTD Amount 29,1 +ISTD Amount 30,1 +ISTD Amount 31,1 +ISTD Amount 32,1 +Sample Amount,1 +Dilution Factor,1 +Vial#,1 +Injection Volume,20 + +[Original Files] +Data File,C:\LabSolutions\Data\aldolaze\Martina\aldolna adicija\batch_21022012\EtAc\8.lcd +Method File,C:\LabSolutions\Data\aldolaze\metoda3_2eluenta.lcm +Batch File,C:\LabSolutions\Data\aldolaze\Martina\baždarci\aldol-aldehid-01022012\lista.lcb +Report Format File,C:\LabSolutions\LCsolution\System\Default.lcr +Tuning File, + +[File Description] + + +[Configuration] +# of 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+14.51667,17.21 +14.53333,17.21 +14.55000,17.21 +14.56667,17.21 +14.58333,17.26 +14.60000,17.26 +14.61667,17.26 +14.63333,17.26 +14.65000,17.26 +14.66667,17.26 +14.68333,17.26 +14.70000,17.26 +14.71667,17.26 +14.73333,17.26 +14.75000,17.24 +14.76667,17.24 +14.78333,17.24 +14.80000,17.24 +14.81667,17.24 +14.83333,17.24 +14.85000,17.24 +14.86667,17.24 +14.88333,17.24 +14.90000,17.24 +14.91667,17.26 +14.93333,17.26 +14.95000,17.26 +14.96667,17.26 +14.98333,17.26 +15.00000,17.26 + +[Fraction Collection Report] +# of Fractions,0 + diff --git a/tests/test_readers/data/shimadzu/some_other_file.md b/tests/test_readers/data/shimadzu/some_other_file.md deleted file mode 100644 index 6cb4344..0000000 --- a/tests/test_readers/data/shimadzu/some_other_file.md +++ /dev/null @@ -1 +0,0 @@ -# Some other file \ No newline at end of file diff --git a/tests/test_readers/data/shimadzu/some_other_txt.txt b/tests/test_readers/data/shimadzu/some_other_txt.txt deleted file mode 100644 index f462581..0000000 --- a/tests/test_readers/data/shimadzu/some_other_txt.txt +++ /dev/null @@ -1 +0,0 @@ -This is another txt file. \ No newline at end of file diff --git a/tests/test_readers/test_agilent.py b/tests/test_readers/test_agilent.py new file mode 100644 index 0000000..0af4780 --- /dev/null +++ b/tests/test_readers/test_agilent.py @@ -0,0 +1,39 @@ +import numpy as np +import pytest + +from chromatopy.tools.analyzer import ChromAnalyzer +from chromatopy.units import min + + +def test_initialize_from_agilent_txt(): + path = "tests/test_readers/data/agilent_txt" + reaction_times = np.arange(0, 49, 1).tolist() + + ana = ChromAnalyzer.read_agilent( + path=path, + reaction_times=reaction_times, + time_unit=min, + ph=7.4, + temperature=25.0, + ) + + assert len(ana.measurements) == 49 + assert ana.measurements[0].chromatograms[0].peaks[0].area == pytest.approx(16919.2) + + +def test_initialize_from_agilent_csv(): + path = "tests/test_readers/data/agilent_csv" + reaction_times = np.arange(0, 17, 1).tolist() + + ana = ChromAnalyzer.read_agilent( + path=path, + reaction_times=reaction_times, + time_unit=min, + ph=7.4, + temperature=25.0, + ) + + assert len(ana.measurements) == 17 + assert ana.measurements[0].chromatograms[0].peaks[0].area == pytest.approx( + 13751453.0 + ) diff --git a/tests/test_readers/test_chromeleon.py b/tests/test_readers/test_chromeleon.py new file mode 100644 index 0000000..9e56be5 --- /dev/null +++ b/tests/test_readers/test_chromeleon.py @@ -0,0 +1,16 @@ +from chromatopy.tools.analyzer import ChromAnalyzer +from chromatopy.units import min + + +def test_read_chromeleon(): + dir_path = "tests/test_readers/data/chromeleon" + + ana = ChromAnalyzer.read_chromeleon( + path=dir_path, + reaction_times=[0] * 6, + time_unit=min, + ph=7.4, + temperature=25.0, + ) + + assert len(ana.measurements) == 6 diff --git a/tests/test_readers/test_jn.py b/tests/test_readers/test_jn.py deleted file mode 100644 index 0dba916..0000000 --- a/tests/test_readers/test_jn.py +++ /dev/null @@ -1,58 +0,0 @@ -# if __name__ == "__main__": -# from devtools import pprint - -# from chromatopy.units import mM - -# dir_path = "/Users/max/Documents/jan-niklas/MjNK/guanosine_std" -# file_path = ( -# "/Users/max/Documents/jan-niklas/MjNK/Standards/Adenosine Stadards_ 0.5 mM.txt" -# ) - -# data_path = "/Users/max/Documents/jan-niklas/MjNK" - -# data_ana = ChromAnalyzer.read_chromeleon(data_path) - -# ana = ChromAnalyzer.read_chromeleon(dir_path) -# del ana.measurements[0] - -# ana.find_peaks() - -# ana.add_molecule( -# ld_id="www.mol.com", -# id="s0", -# name="Guanosine", -# retention_time=6.03, -# ) - -# print(ana.molecules) - -# # find and fit peaks - -# # scatterplot as multiplot for each measurement - -# # for meas in ana.measurements[1:]: -# # for chrom in meas.chromatograms: -# # chrom.fit() - -# # from matplotlib import pyplot as plt - -# # plt.plot( -# # ana.measurements[0].chromatograms[0].times, -# # ana.measurements[0].chromatograms[0].signals, -# # ) -# # plt.plot( -# # ana.measurements[1].chromatograms[0].times, -# # ana.measurements[1].chromatograms[0].signals, -# # ) -# # plt.plot( -# # ana.measurements[2].chromatograms[0].times, -# # ana.measurements[2].chromatograms[0].signals, -# # ) -# # plt.show() - -# from chromatopy.units import C - -# stan = ana.add_standard( -# ana.molecules[0], 7.4, 37, C, [0.5, 1, 1.5, 2, 2.5], mM, visualize=True -# ) -# pprint(stan) diff --git a/tests/test_readers/test_shimadzu.py b/tests/test_readers/test_shimadzu.py index 5ba0892..59e9471 100644 --- a/tests/test_readers/test_shimadzu.py +++ b/tests/test_readers/test_shimadzu.py @@ -2,43 +2,26 @@ import pytest -from chromatopy.core.measurement import Measurement from chromatopy.readers.shimadzu import ShimadzuReader +from chromatopy.units import min -DIR_PATH = "data/shimadzu/" -FILE_PATH = "tests/test_readers/data/shimadzu/Output-sample 0.txt" +DIR_PATH = "tests/test_readers/data/shimadzu" @pytest.mark.readers class TestShimadzuReader(unittest.TestCase): # can read a single file and return a dictionary - def test_read_single_file(self): - reader = ShimadzuReader(FILE_PATH) - - result = reader.read() - - assert isinstance(result[0], Measurement) - - # raises FileNotFoundError when path does not exist - def test_file_not_found_error(self): - # Arrange - path = "nonexistent/path/to/file.txt" - - # Act & Assert - with pytest.raises(FileNotFoundError): - ShimadzuReader(path) - - def test_map_measurement(self): - # Arrange - reader = ShimadzuReader(FILE_PATH) - content = reader.open_file(FILE_PATH) - sections = reader.create_sections(content) - - # Act - result = reader.get_measurement_conditions(sections) - - # Assert - assert isinstance(result, dict) - assert result["timestamp"].isoformat() == "2023-12-12T11:15:12" - assert result["injection_volume"] == 20 - assert result["injection_volume_unit"] == "µL" + def test_read_shimadzu(self): + reader = ShimadzuReader( + dirpath=DIR_PATH, + reaction_times=[0] * 9, + time_unit=min, + ph=7.4, + temperature=25.0, + temperature_unit="C", + ) + + measurements = reader.read() + + assert len(measurements) == 9 + assert measurements[0].chromatograms[0].peaks[0].area == pytest.approx(1278.0)