OpenTFRaw

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: OpenWRaw (Waters), OpenTimsTDF (Bruker).

Rust and Python reader for Thermo Fisher .raw mass spectrometry files, covering format versions 8 through 66 (LCQ Classic through Orbitrap Astral and modern TSQ).

Documentation: sigilweaver.app/opentfraw/docs

Install

Prefer openmassspec-io with the thermo 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 thermo

pip install openmassspec[thermo]

Standalone:

Rust:

cargo add opentfraw

Python:

pip install opentfraw

Quickstart

Rust:

use opentfraw::RawFileReader;

let raw = RawFileReader::open_path("sample.raw")?;
let mut file = std::fs::File::open("sample.raw")?;
for scan_num in 1..=raw.num_scans {
    let peaks = raw.read_scan_peaks(&mut file, scan_num)?;
    println!("scan {scan_num}: {} peaks", peaks.mz.len());
}

Python:

import opentfraw

raw = opentfraw.RawFile("run.raw")
mz, intensity = raw.peaks(3)
print(raw.scan(3)["filter_string"])
raw.to_mzml("run.mzML")

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

Used by

Project Description
Mascope by Karsa Oy Mass spectrometry data analysis platform using OpenTFRaw to ingest Thermo .raw files.

License

Apache-2.0. See LICENSE.

The format specification was developed by binary analysis of public mass-spectrometry datasets (PRIDE accessions). See CORPUS.md and ATTRIBUTION.md.

Project links

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Key dates

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  • Released:
Newer release available (1.4.0)

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 20, 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

Tags

mass-spectrometry thermo raw proteomics orbitrap

Classifiers

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