metabCombiner

This is the development version of metabCombiner; for the stable release version, see metabCombiner.

Method for Combining LC-MS Metabolomics Feature Measurements

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DOI: 10.18129/B9.bioc.metabCombiner

Bioconductor version: Development (3.23)

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.

Author: Hani Habra [aut, cre], Alla Karnovsky [ths]

Maintainer: Hani Habra <hhabra1 at gmail.com>

Citation (from within R, enter citation("metabCombiner")):

Installation

To install this package, start R (version "4.6") and enter:


if (!require("BiocManager", quietly = TRUE))
 install.packages("BiocManager")
# The following initializes usage of Bioc devel
BiocManager::install(version='devel')
BiocManager::install("metabCombiner")

For older versions of R, please refer to the appropriate Bioconductor release.