hhabra/Combiner: Method for Combining LC-MS Metabolomics Feature Measurements

This package aligns LC-HRMS metabolomics datasets acquired from biologically similar specimens analyzed under similar, but not necessarily identical, conditions. Peak-picked and simply aligned metabolomics feature tables (consisting of m/z, rt, and per-sample abundance measurements, plus optional identifiers & adduct annotations) are accepted as input. The package outputs a combined table of feature pair alignments, organized into groups of similar m/z, and ranked by a similarity score. Input tables are assumed to be acquired using similar (but not necessarily identical) analytical methods.

Getting started

Package details

Bioconductor views MassSpectrometry Metabolomics Software
Package repositoryView on GitHub
Installation Install the latest version of this package by entering the following in R:
hhabra/Combiner documentation built on Sept. 13, 2022, 11:34 a.m.