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bio-metabolomics-xcms-preprocessing

XCMS3 workflow for LC-MS/MS metabolomics preprocessing. Covers peak detection, retention time alignment, correspondence (grouping), and gap filling. Use when processing raw LC-MS data into a feature table for untargeted metabolomics.

mdbabumiamssm
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mdbabumiamssm
更新於 2/4/2026
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quick start

Installation and usage

XCMS3 workflow for LC-MS/MS metabolomics preprocessing. Covers peak detection, retention time alignment, correspondence (grouping), and gap filling. Use when processing raw LC-MS data into a feature table for untargeted metabolomics.

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 bio-metabolomics-xcms-preprocessing