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Automated Spectral Deconvolution, Alignment, and Metabolite Identification in GC/MS-Based Untargeted Metabolomics

Automated compound deconvolution, alignment across samples, and identification of metabolites by spectral library matching in Gas Chromatography - Mass spectrometry (GC-MS) untargeted metabolomics. Outputs a table with compound names, matching scores and the integrated area of the compound for each sample.

eRah development version. For downloads, please use CRAN

Or from R console, execute:


To install this development version, execute:

devtools::install_github('xdomingoal/erah-devel',build_vignettes = TRUE)

xdomingoal/erah-devel documentation built on Jan. 11, 2023, 11:37 a.m.