OpenTFRaw

Part of the OpenMassSpec stack for mass spectrometry raw-file access.

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.

Metadata

Release files for opentfraw 2.0.0

For a detailed explanation of source distributions (sdists) and built distributions (wheels), please see the package formats documentation.

Source distribution (sdist)

Source distribution for opentfraw 2.0.0
File	Size	Uploaded
opentfraw-2.0.0.tar.gz	107.1 kB	Sep 28, 2026	Details

Built distributions (wheels)

Table of built distributions (wheels) for opentfraw 2.0.0
File	Interpreter	ABI	Platform	Reset
opentfraw-2.0.0-cp38-abi3-win_amd64.whl 446.8 kB Sep 28, 2026	CPython 3.8	abi3	Windows x86-64	Details
opentfraw-2.0.0-cp38-abi3-manylinux_2_17_x86_64.manylinux2014_x86_64.whl 624.5 kB Sep 28, 2026	CPython 3.8	abi3	Linux glibc 2.17+ x86-64	Details
opentfraw-2.0.0-cp38-abi3-manylinux_2_17_aarch64.manylinux2014_aarch64.whl 610.8 kB Sep 28, 2026	CPython 3.8	abi3	Linux glibc 2.17+ ARM64	Details
opentfraw-2.0.0-cp38-abi3-macosx_11_0_arm64.whl 558.9 kB Sep 28, 2026	CPython 3.8	abi3	macOS 11.0+ ARM64	Details
opentfraw-2.0.0-cp38-abi3-macosx_10_12_x86_64.whl 566.1 kB Sep 28, 2026	CPython 3.8	abi3	macOS 10.12+ x86-64	Details

Total release size: 2.9 MB

Release files / opentfraw-2.0.0.tar.gz

Download URL	opentfraw-2.0.0.tar.gz
Size	107.1 kB
Tags	Source
SHA-256 checksum How to use checksums	`d18ee5f66fbb940ade20138241c22167168e615921d515d2bb78dc4583cce00d`
BLAKE2b-256 checksum How to use checksums	`7cb71cb5a72fd898d529c5b10d192fccc1d99c1d0be6899a18d6a31522c938e4`
Upload date	Sep 28, 2026
Uploaded using Trusted Publishing? What is trusted publishing?	Yes
Uploaded via	`twine/7.0.0 CPython/3.13.14`

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Identity

Publishing platform: GitHub Actions
Publishing repository: github.com/Sigilweaver/OpenTFRaw
Publishing commit: github.com/Sigilweaver/OpenTFRaw/tree/6504316f268fb867db3d768dbc2449d64c44bc59

Workflow

Publishing configuration: github.com/Sigilweaver/OpenTFRaw/blob/6504316f268fb867db3d768dbc2449d64c44bc59/.github/workflows/publish.yml
Publishing logs: github.com/Sigilweaver/OpenTFRaw/actions/runs/36379087681/attempts/1

Artifact

Subject: opentfraw-2.0.0.tar.gz
SHA-256 checksum: d18ee5f66fbb940ade20138241c22167168e615921d515d2bb78dc4583cce00d Verifying attestations

Release files / opentfraw-2.0.0-cp38-abi3-win_amd64.whl

Download URL	opentfraw-2.0.0-cp38-abi3-win_amd64.whl
Size	446.8 kB
Tags	CPython 3.8 Windows x86-64 abi3
SHA-256 checksum How to use checksums	`612ea99a36453c91049524598d3b215e4db5c71a10f0af4441ab48735050553e`
BLAKE2b-256 checksum How to use checksums	`d482ff1895057e016d776ff8c600b0f581aea83792053ea48956a73795f3922b`
Upload date	Sep 28, 2026
Uploaded using Trusted Publishing? What is trusted publishing?	Yes
Uploaded via	`twine/7.0.0 CPython/3.13.14`

Provenance

Identity

Publishing platform: GitHub Actions
Publishing repository: github.com/Sigilweaver/OpenTFRaw
Publishing commit: github.com/Sigilweaver/OpenTFRaw/tree/6504316f268fb867db3d768dbc2449d64c44bc59

Workflow

Publishing configuration: github.com/Sigilweaver/OpenTFRaw/blob/6504316f268fb867db3d768dbc2449d64c44bc59/.github/workflows/publish.yml
Publishing logs: github.com/Sigilweaver/OpenTFRaw/actions/runs/36379087681/attempts/1

Artifact

Subject: opentfraw-2.0.0-cp38-abi3-win_amd64.whl
SHA-256 checksum: 612ea99a36453c91049524598d3b215e4db5c71a10f0af4441ab48735050553e Verifying attestations

Release files / opentfraw-2.0.0-cp38-abi3-manylinux_2_17_x86_64.manylinux2014_x86_64.whl

Download URL	opentfraw-2.0.0-cp38-abi3-manylinux_2_17_x86_64.manylinux2014_x86_64.whl
Size	624.5 kB
Tags	CPython 3.8 Linux glibc 2.17+ x86-64 abi3
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Upload date	Sep 28, 2026
Uploaded using Trusted Publishing? What is trusted publishing?	Yes
Uploaded via	`twine/7.0.0 CPython/3.13.14`

Provenance

Identity

Publishing platform: GitHub Actions
Publishing repository: github.com/Sigilweaver/OpenTFRaw
Publishing commit: github.com/Sigilweaver/OpenTFRaw/tree/6504316f268fb867db3d768dbc2449d64c44bc59

Workflow

Publishing configuration: github.com/Sigilweaver/OpenTFRaw/blob/6504316f268fb867db3d768dbc2449d64c44bc59/.github/workflows/publish.yml
Publishing logs: github.com/Sigilweaver/OpenTFRaw/actions/runs/36379087681/attempts/1

Artifact

Subject: opentfraw-2.0.0-cp38-abi3-manylinux_2_17_x86_64.manylinux2014_x86_64.whl
SHA-256 checksum: e377f6362a731cf99e0df123914a84819bfe054265543c7e26f85c04a6518a1f Verifying attestations

Release files / opentfraw-2.0.0-cp38-abi3-manylinux_2_17_aarch64.manylinux2014_aarch64.whl

Download URL	opentfraw-2.0.0-cp38-abi3-manylinux_2_17_aarch64.manylinux2014_aarch64.whl
Size	610.8 kB
Tags	CPython 3.8 Linux glibc 2.17+ ARM64 abi3
SHA-256 checksum How to use checksums	`14171602f114f5800802416b69dccf8d407bfa227f5af9fc3700672704234be8`
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Upload date	Sep 28, 2026
Uploaded using Trusted Publishing? What is trusted publishing?	Yes
Uploaded via	`twine/7.0.0 CPython/3.13.14`

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Identity

Publishing platform: GitHub Actions
Publishing repository: github.com/Sigilweaver/OpenTFRaw
Publishing commit: github.com/Sigilweaver/OpenTFRaw/tree/6504316f268fb867db3d768dbc2449d64c44bc59

Workflow

Publishing configuration: github.com/Sigilweaver/OpenTFRaw/blob/6504316f268fb867db3d768dbc2449d64c44bc59/.github/workflows/publish.yml
Publishing logs: github.com/Sigilweaver/OpenTFRaw/actions/runs/36379087681/attempts/1

Artifact

Subject: opentfraw-2.0.0-cp38-abi3-manylinux_2_17_aarch64.manylinux2014_aarch64.whl
SHA-256 checksum: 14171602f114f5800802416b69dccf8d407bfa227f5af9fc3700672704234be8 Verifying attestations

Release files / opentfraw-2.0.0-cp38-abi3-macosx_11_0_arm64.whl

Download URL	opentfraw-2.0.0-cp38-abi3-macosx_11_0_arm64.whl
Size	558.9 kB
Tags	CPython 3.8 abi3 macOS 11.0+ ARM64
SHA-256 checksum How to use checksums	`8b7c3319cf1c64a56763f26096c43f9b825291870e66d9118726125e31b73c54`
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Upload date	Sep 28, 2026
Uploaded using Trusted Publishing? What is trusted publishing?	Yes
Uploaded via	`twine/7.0.0 CPython/3.13.14`

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Identity

Publishing platform: GitHub Actions
Publishing repository: github.com/Sigilweaver/OpenTFRaw
Publishing commit: github.com/Sigilweaver/OpenTFRaw/tree/6504316f268fb867db3d768dbc2449d64c44bc59

Workflow

Publishing configuration: github.com/Sigilweaver/OpenTFRaw/blob/6504316f268fb867db3d768dbc2449d64c44bc59/.github/workflows/publish.yml
Publishing logs: github.com/Sigilweaver/OpenTFRaw/actions/runs/36379087681/attempts/1

Artifact

Subject: opentfraw-2.0.0-cp38-abi3-macosx_11_0_arm64.whl
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Release files / opentfraw-2.0.0-cp38-abi3-macosx_10_12_x86_64.whl

Download URL	opentfraw-2.0.0-cp38-abi3-macosx_10_12_x86_64.whl
Size	566.1 kB
Tags	CPython 3.8 abi3 macOS 10.12+ x86-64
SHA-256 checksum How to use checksums	`e18f8cccde5fdf8971b8838fae80abbc9acad0dd176b246ca7a2c6054bbbecab`
BLAKE2b-256 checksum How to use checksums	`1a0cb7b651b85f33c6980b7e5c4f35e0fe69dfee90a481d0d4b39c1d8006f595`
Upload date	Sep 28, 2026
Uploaded using Trusted Publishing? What is trusted publishing?	Yes
Uploaded via	`twine/7.0.0 CPython/3.13.14`

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Identity

Publishing platform: GitHub Actions
Publishing repository: github.com/Sigilweaver/OpenTFRaw
Publishing commit: github.com/Sigilweaver/OpenTFRaw/tree/6504316f268fb867db3d768dbc2449d64c44bc59

Workflow

Publishing configuration: github.com/Sigilweaver/OpenTFRaw/blob/6504316f268fb867db3d768dbc2449d64c44bc59/.github/workflows/publish.yml
Publishing logs: github.com/Sigilweaver/OpenTFRaw/actions/runs/36379087681/attempts/1

Artifact

Subject: opentfraw-2.0.0-cp38-abi3-macosx_10_12_x86_64.whl
SHA-256 checksum: e18f8cccde5fdf8971b8838fae80abbc9acad0dd176b246ca7a2c6054bbbecab Verifying attestations