--> --- name: bio-metabolomics-peak-detection description: Peak picking, feature detection, alignment and grouping using XCMS, MZmine 3, or MS-DIAL. tool_type: mixed primary_tool: metabolomics measurable_outcome: Execute skill workflow successfully with valid output within 15 minutes. allowed-tools: - read_file - run_shell_command --- Peak picking, feature detection, chromatographic alignment and grouping. Supports XCMS, MZmine 3, and MS-DIAL outputs.
Scanned 9/7/2026
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---
name: bio-metabolomics-peak-detection
description: Peak picking, feature detection, alignment and grouping using XCMS, MZmine
3, or MS-DIAL.
tool_type: mixed
primary_tool: metabolomics
measurable_outcome: Execute skill workflow successfully with valid output within 15
minutes.
allowed-tools:
- read_file
- run_shell_command
---
# ⛰️ Metabolomics Peak Detection
Peak picking, feature detection, chromatographic alignment and grouping. Supports XCMS, MZmine 3, and MS-DIAL outputs.
## CLI Reference
```bash
python omicsclaw.py run peak-detect --demo
python omicsclaw.py run peak-detect --input <data.csv> --output <dir>
```
## Citations
- [XCMS](https://doi.org/10.1021/ac051437y)
- [MZmine 3](https://doi.org/10.1038/s41587-023-01690-2)
- [MS-DIAL](https://doi.org/10.1038/nmeth.3393)
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