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
From an R console, execute:
install.packages('erah')
To install this development version, execute:
remotes::install_github('xdomingoal/erah-devel')
The package documentation can be browsed online at https://xdomingoal.github.io/erah-devel/.
If this is your first time using erah
see the manual for information on how to get started.
If you believe you've found a bug in erah
, please file a bug (and, if
possible, a reproducible example) at
https://github.com/xdomingoal/erah-devel/issues.