Library Driven Compound Profiling in Gas Chromatography - Mass Spectrometry 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.


News

baitmet v1.0.1 (Release date: 2016-05-30)

  • Minor bug fixes
  • Documentation updated
  • Baitmet now allows computing Stein and Scott composite similarity.

baitmet v1.0.0 (Release date: 2016-04-15)

First commit.

Reference manual

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install.packages("baitmet")

1.0.1 by Xavier Domingo-Almenara, 2 years ago


http://metabolomicsplatform.com/


Browse source code at https://github.com/cran/baitmet


Authors: Xavier Domingo-Almenara , Jesus Brezmes , Gabriela Venturini , Gabriel Vivo-Truyols , Alexandre Perera-Lluna , Maria Vinaixa.


Documentation:   PDF Manual  


GPL (>= 2) license


Imports HiClimR, XML, signal, methods

Depends on Rcpp, erah

Suggests R.rsp, mzR


See at CRAN