This package aligns LC-HRMS metabolomics datasets acquired from biologically similar specimens analyzed under similar, but not necessarily identical, conditions. Two peak-picked and 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.
Package details |
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Author | Hani Habra [aut, cre], Alla Karnovsky [ths] |
Bioconductor views | MassSpectrometry Metabolomics Software |
Maintainer | Hani Habra <hhabra1@gmail.com> |
License | GPL-3 |
Version | 1.0.1 |
Package repository | View on Bioconductor |
Installation |
Install the latest version of this package by entering the following in R:
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