home/categories/scientific-computing/mdbabumiamssm-llms-universal-life-science-and-clinical-skills-skills-metabolomics-metabolomics-xcms-preprocessing-skill-md

scientific-computingresearch

metabolomics-xcms-preprocessing

Name: metabolomics-xcms-preprocessing
Author: mdbabumiamssm

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

Voir le code source scientific-computing

maintainer

mdbabumiamssm

Mis à jour 3/31/2026

Étoiles

Forks

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