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: 1.1.2
Depends: Rcpp, R (≥ 3.5.0)
Imports: ncdf4, nnls, igraph, signal, quantreg, XML, methods
Suggests: R.rsp, mzR
Published: 2021-05-11
Author: Xavier Domingo-Almenara [aut, cre, cph], Jasen P. Finch [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>
License: GPL-2 | GPL-3 [expanded from: GPL (≥ 2)]
URL: https://scholar.google.es/citations?user=i-0XFxkAAAAJ&hl=en
NeedsCompilation: yes
Citation: erah citation info
Materials: NEWS
CRAN checks: erah results

Downloads:

Reference manual: erah.pdf
Vignettes: eRah Manual
Package source: erah_1.1.2.tar.gz
Windows binaries: r-devel: erah_1.1.2.zip, r-release: erah_1.1.2.zip, r-oldrel: erah_1.1.2.zip
macOS binaries: r-release: erah_1.1.2.tgz, r-oldrel: erah_1.1.2.tgz
Old sources: erah archive

Reverse dependencies:

Reverse depends: baitmet

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