OpenWRaw

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

Part of the OpenMassSpec stack for mass spectrometry 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

Prefer openmassspec-io with the waters feature/extra unless you need this parser standalone (minimal dependencies, or building your own abstraction) - the umbrella gives you format auto-detection, mzML conversion, and Arrow streaming across all wired-in vendors for free:

cargo add openmassspec-io --features waters

pip install openmassspec[waters]

Standalone:

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).

Project links

Data verified by PyPI on Jul 15, 2026
Data provided by the project maintainers, verified at the time the release was uploaded to PyPI.

Key dates

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  • Released:
Newer release available (1.2.9)

1 maintainer

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Avatar for nathanriley from gravatar.com nathanriley

Credits

Author: Nathan Riley

GitHub Statistics

Data verified by PyPI on Jul 15, 2026
The GitHub source repository was provided by the project maintainers and verified by PyPI at the time of upload. Stars, forks, and open issues/PRs are derived from that repository and have not been independently verified.

License

Apache Software License (Apache-2.0)

Requires

Python >=3.8

Provides Extra

test

Tags

mass-spectrometry waters masslynx raw proteomics

Classifiers

Report project as malware

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Release history Release notifications | RSS feed

1.2.9

33 files

1.2.8

33 files

1.2.7

33 files

1.2.6

33 files

This release

1.2.5 This release

33 files

1.2.4

33 files

1.2.3

33 files

1.2.2

33 files

1.2.0

33 files

1.1.0

32 files

1.0.5

32 files

1.0.4

32 files

1.0.3

32 files

1.0.2

32 files

1.0.1

32 files

1.0.0

31 files

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