baitmet: Library Driven Compound Profiling in GC-MS Data

Automated quantification of metabolites by targeting mass spectral/retention time libraries into full scan-acquired gas chromatography - mass spectrometry (GC-MS) chromatograms. Baitmet outputs a table with compounds name, spectral matching score, retention index error, and compounds area in each sample. Baitmet can automatically determine the compounds retention indexes with or without co-injection of internal standards with samples.

Version: 1.0.0
Depends: Rcpp, erah (≥ 1.0.5)
Imports: osd, HiClimR, XML, signal, methods
Suggests: R.rsp, mzR
Published: 2017-01-14
Author: Xavier Domingo-Almenara, Alexandre Perera-Lluna, Gabriel Vivo-Truyols, Gabriela Venturini, Maria Vinaixa, Jesus Brezmes.
Maintainer: Xavier Domingo-Almenara <xdomingo at scripps.edu>
License: GPL-2 | GPL-3 [expanded from: GPL (≥ 2)]
URL: http://metabolomicsplatform.com/
NeedsCompilation: no
Materials: NEWS
CRAN checks: baitmet results

Downloads:

Reference manual: baitmet.pdf
Vignettes: BaitMet Manual
Package source: baitmet_1.0.0.tar.gz
Windows binaries: r-devel: baitmet_1.0.0.zip, r-release: baitmet_1.0.0.zip, r-oldrel: baitmet_1.0.0.zip
OS X Mavericks binaries: r-release: baitmet_1.0.0.tgz, r-oldrel: baitmet_1.0.0.tgz

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