erah: 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. Package implementation is described in Domingo-Almenara et al. (2016) <doi:10.1021/acs.analchem.6b02927>.

Version:	2.0.1
Depends:	R (≥ 3.4)
Imports:	osd, HiClimR, igraph, signal, quantreg, methods, tibble, progress, future, furrr
Suggests:	ncdf4, mzR, knitr, rmarkdown, prettydoc, covr, gcspikelite, testthat
Published:	2023-12-20
DOI:	10.32614/CRAN.package.erah
Author:	Xavier Domingo-Almenara [aut, cre, cph], Jasen P. Finch [ctb], Adria Olomi [ctb], Sara Samino [aut], Maria Vinaixa [aut], Alexandre Perera [aut, ths], Jesus Brezmes [aut, ths], Oscar Yanes [aut, ths]
Maintainer:	Xavier Domingo-Almenara <xavier.domingoa at eurecat.org>
BugReports:	https://github.com/xdomingoal/erah-devel/issues
License:	GPL-2 | GPL-3 [expanded from: GPL (≥ 2)]
URL:	http://metsyslab.com/, http://xdomingoal.github.io/erah-devel/
NeedsCompilation:	yes
Citation:	erah citation info
Materials:	NEWS
In views:	Omics
CRAN checks:	erah results

Documentation:

Reference manual:	erah.pdf
Vignettes:	eRah Manual

Downloads:

Package source:	erah_2.0.1.tar.gz
Windows binaries:	r-devel: erah_2.0.1.zip, r-release: erah_2.0.1.zip, r-oldrel: erah_2.0.1.zip
macOS binaries:	r-release (arm64): erah_2.0.1.tgz, r-oldrel (arm64): erah_2.0.1.tgz, r-release (x86_64): erah_2.0.1.tgz, r-oldrel (x86_64): erah_2.0.1.tgz
Old sources:	erah archive

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