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.
- Version2.0.1
- R versionunknown
- LicenseGPL-2
- LicenseGPL-3
- Needs compilation?Yes
- erah citation info
- Last release12/20/2023
Documentation
Team
Xavier Domingo-Almenara
Jasen P. Finch
Show author detailsRolesContributorAdria Olomi
Show author detailsRolesContributorSara Samino
Show author detailsRolesAuthorMaria Vinaixa
Show author detailsRolesAuthorAlexandre Perera
Show author detailsRolesAuthor, Thesis advisorJesus Brezmes
Show author detailsRolesAuthor, Thesis advisorOscar Yanes
Show author detailsRolesAuthor, Thesis advisor
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- Imports9 packages
- Suggests6 packages