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erah

Automated Spectral Deconvolution, Alignment, and Metabolite Identification in GC/MS-Based Untargeted Metabolomics

v2.2.0 · Jul 17, 2025 · GPL (>= 2)

Description

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 suggested but not available for checking: ‘gcspikelite’
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NOTE 13 OK · 1 NOTE · 0 WARNING · 0 ERROR · 0 FAILURE Mar 9, 2026
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package dependencies

Package suggested but not available for checking: ‘gcspikelite’

Dependency Network

Dependencies Reverse dependencies Rcpp osd HiClimR igraph signal quantreg tibble progress furrr erah

Version History

new 2.2.0 Mar 9, 2026