Lab Data Parser

Lab Data Parser is a fast, native toolkit for parsing, analyzing, and visualizing laboratory chromatography (HPLC) and mass spectrometry (mzML) data. Written entirely in Rust, it provides a unified data model with both a CLI and an interactive GUI.

Features

• Multi-format parsing: Supports HPLC CSV/TXT and mzML/mzXML formats.
• Peak Detection: Tunable peak detection with adjustable threshold and width parameters.
• Interactive GUI: An egui-based standalone app allowing live visualization, peak tuning, and manual peak labeling.
• Exporting: Export processed chromatograms to CSV, JSON, XLSX, or render a static PNG chart.
• Cross-Platform: Compiles to a single native binary on Windows, macOS, and Linux with no external runtime dependencies.

Installation

Ensure you have Rust installed.

Building the GUI (Release)

To build the standalone GUI application with maximum optimizations:

cargo build --release -p lab-data-parser-gui

The compiled executable will be located in target/release/lab-data-parser-gui.exe (on Windows). You can copy this file and share it with colleagues directly.

Building the CLI

cargo build --release -p lab-data-parser-cli

Usage (GUI)

1. Run the application: cargo run --release -p lab-data-parser-gui
2. Click Open file... to load your laboratory data.
3. Use the Peak threshold and Min peak width sliders to fine-tune the automated peak detection.
4. Interact with the plot to zoom in on peaks and view their retention times.
5. In the table below the plot, click on a peak's name to manually label it.
6. Use the Export as buttons (or the File menu) to save your results to CSV, JSON, XLSX, or PNG.

License

Dual-licensed under MIT or Apache-2.0, at your option.