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DESCRIPTION
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DESCRIPTION
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Package: erah
Type: Package
Version: 2.0.0
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]
Title: Automated Spectral Deconvolution, Alignment, and Metabolite Identification in GC/MS-Based Untargeted Metabolomics
Depends: R (>= 3.4)
Imports: osd,
HiClimR,
igraph,
signal,
quantreg,
methods,
tibble,
progress,
future,
furrr
Suggests:
ncdf4,
mzR,
knitr,
rmarkdown,
prettydoc,
covr,
gcspikelite,
testthat
Maintainer: Xavier Domingo-Almenara <xavier.domingoa@eurecat.org>
Description: 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>.
License: GPL (>= 2)
URL: http://metabolomicsplatform.com/
BugReports: https://github.com/xdomingoal/erah-devel/issues
biocViews: MassSpectrometry, Metabolomics
LazyData: yes
NeedsCompilation: yes
VignetteBuilder: knitr
RoxygenNote: 7.2.3
Encoding: UTF-8