Demo

Process the bundled demonstration dataset end-to-end in INTEGRATOR, without preparing any input files

A complete demonstration project is bundled with every INTEGRATOR release. It contains example converted mzML files together with prepared input files (param.txt, run_order.csv, and a transition list), so peak integration can be run immediately — no input-file preparation is required. The demonstration is therefore the fastest way to verify the installation and to observe the outputs INTEGRATOR produces.

For a new analysis with user-supplied data, see the Quick Start.

1. Download the release

The latest release is downloaded and unzipped from the Releases page. The demonstration project is included in the archive; its contents and layout are documented in the accompanying readme.txt, which serves as the authoritative reference.

2. Clear the first-launch security prompt

INTEGRATOR is a portable executable and is not installed. On first launch, the one-time operating system security prompt is cleared (macOS Gatekeeper / Windows “Unblock”). → Installation

3. Run INTEGRATOR on the demo data

MRMhub is launched from the demonstration folder and the four steps are executed in order:

  1. Data Validation — the bundled input files are checked for consistency.
  2. Peak Finding & RT-shift estimation — RT_matrix.csv is produced.
  3. Peak Integration — long.csv and quant_raw.csv are produced.
  4. Generate PDF results (optional) — per-transition / per-sample chromatogram PDFs are written.

→ Processing Workflow

4. Review the results

The integration is inspected in MRMhub-viz, where chromatograms and peak boundaries are examined. → MRMhub-viz

Expected outputs

File Content
RT_matrix.csv Per-sample integration borders (left/right) for each feature
long.csv Integrated peak areas in long format (one row per analysis × feature)
quant_raw.csv Wide-format peak areas

Next step in the pipeline

The exported long.csv can be post-processed with the separate MRMhub-QUANT module for ISTD normalisation, drift/batch correction, calibration, quality control, and reporting:

import_data_mrmhub(path = "path/to/long.csv", import_metadata = TRUE)

→ QUANT documentation ↗