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: | 1.1.1 |
Depends: | R (≥ 3.5.0), Rcpp |
Imports: | ncdf4, nnls, igraph, signal, quantreg, XML, methods |
Suggests: | R.rsp, mzR |
Published: | 2020-07-06 |
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 |
Reference manual: | erah.pdf |
Vignettes: |
eRah Manual |
Package source: | erah_1.1.1.tar.gz |
Windows binaries: | r-devel: erah_1.1.1.zip, r-release: erah_1.1.1.zip, r-oldrel: erah_1.1.1.zip |
macOS binaries: | r-release: erah_1.1.1.tgz, r-oldrel: erah_1.1.1.tgz |
Old sources: | erah archive |
Reverse depends: | baitmet |
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