metabolomics-peak-detection

name	metabolomics-peak-detection
description	Peak picking, feature detection, alignment and grouping using XCMS, MZmine 3, or MS-DIAL.
version	0.1.0
author	OmicsClaw
license	MIT
tags	["metabolomics","peak-detection","XCMS","MZmine","MS-DIAL"]
metadata	{"omicsclaw":{"domain":"metabolomics","emoji":"⛰️","trigger_keywords":["peak detection","feature detection","XCMS","MZmine","MS-DIAL","peak picking"],"allowed_extra_flags":[],"legacy_aliases":["peak-detect"],"saves_h5ad":false}}

⛰️ Metabolomics Peak Detection

Peak picking, feature detection, chromatographic alignment and grouping. Supports XCMS, MZmine 3, and MS-DIAL outputs.

CLI Reference

python omicsclaw.py run peak-detect --demo
python omicsclaw.py run peak-detect --input <data.csv> --output <dir>

Citations

• XCMS
• MZmine 3
• MS-DIAL