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: 1.1.0
Depends: R (≥ 2.10), Rcpp
Imports: ncdf4, nnls, igraph, signal, quantreg, XML, methods
Suggests: R.rsp, mzR
Published: 2018-07-11
Author: Xavier Domingo-Almenara [aut, cre, cph], Sara Samino [aut], Maria Vinaixa [aut], Alexandre Perera [aut, ths], Jesus Brezmes [aut, ths], Oscar Yanes [aut, ths]
Maintainer: Xavier Domingo-Almenara <xdomingo at scripps.edu>
License: GPL-2 | GPL-3 [expanded from: GPL (≥ 2)]
URL: http://metabolomicsplatform.com/
NeedsCompilation: yes
Citation: erah citation info
Materials: NEWS
CRAN checks: erah results

Downloads:

Reference manual: erah.pdf
Vignettes: eRah Manual
Package source: erah_1.1.0.tar.gz
Windows binaries: r-devel: erah_1.1.0.zip, r-release: erah_1.1.0.zip, r-oldrel: erah_1.1.0.zip
OS X binaries: r-release: erah_1.1.0.tgz, r-oldrel: erah_1.1.0.tgz
Old sources: erah archive

Reverse dependencies:

Reverse depends: baitmet

Linking:

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