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 https://CRAN.R-project.org/package=erah
Or from R console, execute:
install.packages('erah')To install this development version, execute:
devtools::install_github('xdomingoal/erah-devel',build_vignettes = TRUE)