r-erah
Automated compound deconvolution, alignment across samples, and identification of metabolites by spectral library matching in Gas Chromatography - Mass spectrometry (GC-MS) untargeted metabolomics.
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Description
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) .
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Summary
Automated compound deconvolution, alignment across samples, and identification of metabolites by spectral library matching in Gas Chromatography - Mass spectrometry (GC-MS) untargeted metabolomics.
Last Updated
Jul 18, 2025 at 02:38
License
GPL-2.0-or-later
Total Downloads
4.1K
Supported Platforms
linux-64
macOS-64