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.

檢視原始碼 scientific-computing

maintainer

mdbabumiamssm

更新於 3/31/2026

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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.

安裝

$ install --globalskills.sh

使用

安裝後，您可以透過在終端機執行以下指令來使用此技能：

skills use metabolomics-xcms-preprocessing