INTEGRATOR
Robust, reproducible peak detection and integration for large-scale targeted LC-MS-MRM analyses
INTEGRATOR is the stand-alone peak-integration module of the MRMhub framework. MS raw data are imported as mzML files, and MRMhub is then run as a console application in four steps: (1) import and conversion of mzML files, (2) cross-sample peak detection, (3) peak integration, and (4) plotting of chromatograms with integrated peaks as PDFs. Peak-area data are saved as long- and wide-format CSV files.
The workflow
INTEGRATOR performs the peak integration; QUANT (dashed) is a separate MRMhub module.
Download and setup
INTEGRATOR is distributed as a self-contained executable for macOS and Windows via the GitHub releases page; no installation and no separate runtimes are required. A copy of the executable is kept with each analysis project, which ensures reproducibility. On first launch, typically a one-time OS security prompt must be cleared. Detailed instructions are given in Installing MRMhub-INTEGRATOR.
Getting started
- Run the demo — the bundled dataset with all required files can be processed end-to-end with INTEGRATOR. It ships within the latest release and is documented in
readme.txt. - Quick Start — a short tutorial for running a new peak integration project.
- Browse real analyses — Read details on peak integration of two large-scale lipidomics studies.
- Manual — detailed instructions and tool reference for every stage; also available from the Manual menu above.
- FAQ & Troubleshooting — common problems preparing input files and running INTEGRATOR, and how to resolve them.
Post-processing of integration results
The results produced by INTEGRATOR can be used directly by the QUANT R package (mrmhub) for post-processing — normalisation, drift/batch correction, calibration, quality control, and reporting. See the QUANT manual ↗ and the corresponding Demo.
Links
License
- AGPLv3 (non-commercial use)
- Commercial licensing — contact Jonathan Tan