DOI: 10.18129/B9.bioc.metabCombiner  

This package is for version 3.16 of Bioconductor; for the stable, up-to-date release version, see metabCombiner.

Method for Combining LC-MS Metabolomics Feature Measurements

Bioconductor version: 3.16

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>

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


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biocViews MassSpectrometry, Metabolomics, Software
Version 1.8.0
In Bioconductor since BioC 3.12 (R-4.0) (2.5 years)
License GPL-3
Depends R (>= 4.0), dplyr (>= 1.0)
Imports methods, mgcv, caret, S4Vectors, stats, utils, rlang, graphics, matrixStats, tidyr
Suggests knitr, rmarkdown, testthat, BiocStyle
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