This is the git repository matching the Bioconductor package xcms: LC/MS and GC/MS Data Analysis

Base Classes and Functions for Mass Spectrometry and Proteomics

Infer metabolic directions from moment differences of mass-weighted intensity distributions

Quantitative Analysis of Mass Spectrometry Data

Galaxy tools for metabolomics maintained by Workflow4Metabolomics

Low level infrastructure to handle MS spectra

Workflow solutions for mass-spectrometry based non-target analysis.

The pmartR R package provides functionality for quality control, normalization, exploratory data analysis, and statistical analysis of mass spectrometry (MS) omics data, in particular proteomic (either at the peptide or the protein level), lipidomic, and metabolomic data.

Creating and using (chemical) compound databases

metaX: a flexible and comprehensive software for processing omics data.

R-based package for detecting differentially abundant proteins in shotgun mass spectrometry-based proteomic experiments with tandem mass tag (TMT) labeling

Git repository for the R package "LOBSTAHS" (Lipid and Oxylipin Biomarker Screening Through Adduct Hierarchy Sequences)

Core Utils for Mass Spectrometry Data

Brings Orbitrap mass spectrometry data to life; multi-platform, fast and colorful R package

Understanding metabolism is fundamental in biomedical and plant research and the identification and quantification of thousands of metabolites by mass spectrometry in modern metabolomics is a prerequisite for elucidating this area. However, the identification of metabolites is a major bottleneck in traditional approaches hampering advances. Here…

This is a custom fork of apLCMS containing adaptations for large scale studies.

TargetedMSQC is an R package for automated quality assessment of chromatographic peaks and transitions and interference detection in targeted mass spectrometry data.

Access Orbitrap data in R lang using C# mono assembly - bioconductor package

The Database Infrastructure for Mass Spectrometry (DIMSpec) project

Analytical R Tools for Mass Spectrometry