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.

عرض المصدر scientific-computing

maintainer

mdbabumiamssm

آخر تحديث 3/31/2026

النجوم

التفرعات

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.

التثبيت

$ install --globalskills.sh

الاستخدام

بعد التثبيت، يمكنك استخدام هذه المهارة بتشغيل الأمر التالي في الطرفية:

skills use metabolomics-xcms-preprocessing