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erah: 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) <doi:10.1021/acs.analchem.6b02927>.
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Package details |
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| 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@eurecat.org> |
| License | GPL (>= 2) |
| Version | 1.1.2 |
| URL | https://scholar.google.es/citations?user=i-0XFxkAAAAJ&hl=en |
| Package repository | View on CRAN |
| Installation |
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