Python bindings for the OpenWRaw Waters MassLynx RAW file parser

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  • License: Apache Software License (Apache-2.0)
  • Author: Nathan Riley
  • Requires: Python >=3.8
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Project description

OpenWRaw

CI crates.io PyPI docs.rs License: Apache-2.0

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.

Copyright 2026 Sigilweaver Holdings LLC.

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

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  • License: Apache Software License (Apache-2.0)
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  • Requires: Python >=3.8
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