From 7c1652c1288fc603050ecdeb4d55b28da0584a01 Mon Sep 17 00:00:00 2001 From: Charlie Pauvert Date: Fri, 19 Apr 2024 15:52:01 +0200 Subject: [PATCH] create graphical overview --- man/figures/maldipickr-graphical-overview.svg | 2 +- 1 file changed, 1 insertion(+), 1 deletion(-) diff --git a/man/figures/maldipickr-graphical-overview.svg b/man/figures/maldipickr-graphical-overview.svg index 7a0eaa5..d0f7cd9 100644 --- a/man/figures/maldipickr-graphical-overview.svg +++ b/man/figures/maldipickr-graphical-overview.svg @@ -1,4 +1,4 @@ - \ No newline at end of file +
process
spectra
process...
named list of three objects
named list of three objects
  • List of n processed spectra signals
  • List of n peaks m/z and intensities
  • Table of peak detection metadata
List of n processed spectra signalsList o...
read
biotyper
report
read...
delineate
with
identification
delineate...
table
table
Up to ten identifications
per n spectra
Up to ten identifications...
identification report
identification report
pick
spectra
pick...
additional
metadata
additiona...
merge
processed
spectra
merge...
intensity matrix
intensity matrix
  • n rows as n spectra
  • p columns as p peaks
n rows as n spectra...
delineate
with
similarity
delineate...
similarity matrix
similarity matrix
n rows and n columns
as n spectra
n rows and n columns...
clusters table
clusters table
n rows as n spectra
with cluster membership
n rows as n spectra...
cherry-pick table
cherry-pick table
n spectra are labeled
as to be picked
for each cluster
n spectra are labeled...
START
START
END
END
Import
Import
check
spectra
check...
remove
spectra
remove...
raw spectra
raw spectra
List m MALDIquant
MassSpectrum objects
List m MALDIquant...
filtered raw spectra
filtered raw spectra
List n MALDIquant
MassSpectrum objects
List n MALDIquant...
import
biotyper
spectra
import...
Process
Process
Filter identifications
using log score threshold
with R functions
Filter identifications...
Compute cosine similarity using {coop} function
Compute cosine similarity using {coop} func...
Dereplicate
Dereplicate
Legend
Legend
Input files
Input files
Data flow
Data flow
Cherry-pick
Cherry-pick
or
or
Part of {maldipickr} package
Part of {maldipickr} package
spectra
spectra
membership
membership
A
A
1
1
B
B
1
1
C
C
2
2
Example: 
Two clusters (AB) and (C)
Example:...
Example: 
Pick A and C
Example:...
raw spectra
raw spectra
acqu
files
acqu...
csv
files
csv...
spectra data steps
spectra data steps
identification steps
identification steps
common steps
common steps
data type
data type
features
features
maldipickr
function
maldipickr...
input
input
output
output
Text is not SVG - cannot display
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