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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 dependencies

Package suggested but not available for checking: ‘gcspikelite’

Check History

NOTE 13 OK · 1 NOTE · 0 WARNING · 0 ERROR · 0 FAILURE Mar 10, 2026
NOTE r-oldrel-macos-arm64

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 10, 2026
updated 2.2.0 ← 2.0.1 diff Jul 17, 2025
updated 2.0.1 ← 2.0.0 diff Dec 19, 2023
updated 2.0.0 ← 1.1.2 diff Dec 1, 2023
updated 1.1.2 ← 1.1.1 diff May 10, 2021
updated 1.1.1 ← 1.1.0 diff Jul 5, 2020
updated 1.1.0 ← 1.0.5 diff Jul 10, 2018
updated 1.0.5 ← 1.0.4 diff Jan 13, 2017
updated 1.0.4 ← 1.0.3 diff Oct 17, 2016
updated 1.0.3 ← 1.0.2 diff Oct 13, 2016
updated 1.0.2 ← 1.0.1 diff Sep 1, 2016
updated 1.0.1 ← 1.0.0 diff Apr 21, 2016
new 1.0.0 Apr 14, 2016