AlpsNMR

AlpsNMR is an R package that can load Bruker and JDX samples as well as preprocess them.

It includes functions for region exclusion, normalization, peak detection & integration and outlier detection among others. See the package vignette for details.

Installation

Latest release

if (!"BiocManager" %in% rownames(installed.packages()))  
    install.packages("BiocManager")
BiocManager::install("AlpsNMR")

Development version

if (!"remotes" %in% rownames(installed.packages()))  
    install.packages("remotes")
remotes::install_github("sipss/AlpsNMR")

Quick start

Checkout the Introduction to AlpsNMR vignette that shows how to import data and preprocess it using AlpsNMR. See our publication for further details.

See also the tutorial with a real dataset from beginning to end, including all the steps of untargeted metabolomics analysis.