home/categories/scientific-computing/mdbabumiamssm-llms-universal-life-science-and-clinical-skills-skills-metabolomics-metabolomics-xcms-preprocessing-skill-md
scientific-computingresearch
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.
maintainer
mdbabumiamssm
Обновлено 3/31/2026
Звёзды
24
Форки
4
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.
Установка
$ install --globalskills.sh
Использование
После установки вы можете использовать этот skill, выполнив следующую команду в терминале:
skills use metabolomics-xcms-preprocessing