erah (1.1.0)

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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) .

Maintainer: Xavier Domingo-Almenara
Author(s): Xavier Domingo-Almenara [aut, cre, cph], Sara Samino [aut], Maria Vinaixa [aut], Alexandre Perera [aut, ths], Jesus Brezmes [aut, ths], Oscar Yanes [aut, ths]

License: GPL (>= 2)

Uses: igraph, ncdf4, nnls, quantreg, Rcpp, signal, XML, R.rsp
Reverse depends: baitmet

Released over 1 year ago.

6 previous versions



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