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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.

GPTomics
maintainer
GPTomics
更新日 2/13/2026
スター
471
フォーク
81
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.

インストール
$ install --globalskills.sh
使い方

インストール後、ターミナルで以下のコマンドを実行してこのスキルを使用できます:

skills use bio-metabolomics-xcms-preprocessing