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>.
| Version: |
2.2.0 |
| Depends: |
R (≥ 4.0) |
| Imports: |
Rcpp, osd, HiClimR, igraph, signal, quantreg, methods, tibble, progress, furrr |
| LinkingTo: |
Rcpp |
| Suggests: |
ncdf4, mzR, future, knitr, rmarkdown, prettydoc, covr, gcspikelite, testthat |
| Published: |
2025-07-17 |
| DOI: |
10.32614/CRAN.package.erah |
| Author: |
Xavier Domingo-Almenara [aut, cre, cph],
Jasen P. Finch [ctb],
Adria Olomi [ctb],
Sara Samino [aut],
Maria Vinaixa [aut],
Alexandre Perera [aut, ths],
Jesus Brezmes [aut, ths],
Oscar Yanes [aut, ths] |
| Maintainer: |
Xavier Domingo-Almenara <xavier.domingo at urv.cat> |
| BugReports: |
https://github.com/xdomingoal/erah-devel/issues |
| License: |
GPL-2 | GPL-3 [expanded from: GPL (≥ 2)] |
| URL: |
https://metsyslab.com/, http://xdomingoal.github.io/erah-devel/ |
| NeedsCompilation: |
yes |
| Citation: |
erah citation info |
| Materials: |
NEWS |
| In views: |
Omics |
| CRAN checks: |
erah results |