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metabolomics-xcms-preprocessing

XCMS3 workflow for LC-MS/GC-MS metabolomics preprocessing. Peak detection (CentWave/MatchedFilter), RT alignment (Obiwarp), correspondence, gap filling, and CAMERA adduct/isotope annotation.

TianGzlab
maintainer
TianGzlab
Mis à jour 3/27/2026
Étoiles
115
Forks
23
quick start

Installation and usage

XCMS3 workflow for LC-MS/GC-MS metabolomics preprocessing. Peak detection (CentWave/MatchedFilter), RT alignment (Obiwarp), correspondence, gap filling, and CAMERA adduct/isotope annotation.

Installation
$ install --globalskills.sh
Utilisation

Après l'installation, vous pouvez utiliser ce skill en exécutant la commande suivante dans votre terminal :

skills use metabolomics-xcms-preprocessing