openwraw 1.1.0

Python bindings for the OpenWRaw Waters MassLynx RAW file parser

OpenWRaw

Part of the OpenProteo stack for proteomics raw-file access. Sibling readers: OpenTFRaw (Thermo), OpenTimsTDF (Bruker).

Rust and Python reader for the Waters MassLynx RAW mass spectrometry data format. Cross-platform (Linux, macOS, Windows), with no native or system dependencies.

Full documentation: sigilweaver.app/openwraw/docs

Install

Rust:

cargo add openwraw

Python:

pip install openwraw

Quickstart

Rust:

use openwraw::RawReader;

let r = RawReader::open("sample.raw")?;
for f in r.functions() {
    println!("function {}: {} scans", f.index, f.scan_count);
}

Python:

import openwraw

r = openwraw.RawReader("sample.raw")
spec = r.read_spectrum(1, 0)
print(spec.mz[:5], spec.intensity[:5])

See the docs site for the full quickstart, guide, and format specification.

Repository layout

crates/
  openwraw/      Core Rust library (69 tests)
  openwraw-py/   PyO3 / maturin Python bindings
docs/            Docusaurus site (format spec + guides)

License

Apache-2.0. See LICENSE.

The format specification was developed by binary analysis of public mass-spectrometry datasets (PRIDE accessions).