MPACT¶
MPACT (Metabolomics Peak Analysis Computational Tool) filters and explores untargeted LC-MS metabolomics data. You give it a peak table, a sample list and a metadata file. It removes mispicked peaks, solvent-blank features, irreproducible features and in-source fragments, computes group statistics, and draws interactive plots for data quality, group comparison, clustering, multivariate analysis, mass defect and per-feature database matching.
The hosted version runs at app.mpactms.org. The analysis runs on the server, so there is nothing to install and a large dataset behaves the same on a laptop as on a workstation. You can also run your own server.
Supported inputs¶
| Input | Formats |
|---|---|
| Peak table | Progenesis QI, MZmine, MS-DIAL (5.4 and 5.5), Bruker Metaboscape |
| Sample list | CSV: injection name to sample code |
| Metadata | CSV: sample code to biological group |
| Fragment database (optional) | MSP or MGF |
Formats are detected from file content. See Input files.
Where to start¶
- New to MPACT: see Installation for the ways to run it, then try the demo dataset in the Quick start.
- Analyzing your own data: Input files covers how to export a peak table and build the two sample sheets.
- Reading a plot: each result tab has its own page under Results.
- Used the desktop app before: see Coming from the desktop app.
- Something not working: see Troubleshooting.
License¶
MPACT is free software under the GNU General Public License v3. The analysis pipeline is shared with the desktop application at github.com/robertsamples/mpact.