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OpenARaw

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

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

Rust and Python reader for Agilent MassHunter .d mass spectrometry data directories, with no Agilent SDK or software dependency. Covers the modern AcqData MassHunter shape across Q-TOF (profile and centroid) and QQQ (MRM) acquisitions.

Documentation: sigilweaver.app/openaraw/docs

Install

Prefer openmassspec-io with the agilent 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 agilent
pip install openmassspec[agilent]

Standalone:

Rust:

cargo add openaraw

Python:

pip install openaraw

Quickstart

Rust:

use openaraw::reader::Reader;
use openmassspec_core::SpectrumSource;

let mut reader = Reader::open("sample.d")?;
for spectrum in reader.iter_spectra() {
    println!("{}: {} peaks", spectrum.native_id, spectrum.mz.len());
}

Python:

import openaraw

reader = openaraw.RawReader("sample.d")
spectrum = reader.read_spectrum(0)
print(spectrum.ms_level, spectrum.retention_time_sec, len(spectrum.mz))

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

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 openaraw 0.1.5

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

Source distribution (sdist)

Source distribution for openaraw 0.1.5
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Built distributions (wheels)

Table of built distributions (wheels) for openaraw 0.1.5
File
openaraw-0.1.5-pp311-pypy311_pp73-manylinux_2_17_x86_64.manylinux2014_x86_64.whl PyPy 3.11 PyPy 3.11 7.3 Linux glibc 2.17+ x86-64 Details
openaraw-0.1.5-pp311-pypy311_pp73-manylinux_2_17_aarch64.manylinux2014_aarch64.whl PyPy 3.11 PyPy 3.11 7.3 Linux glibc 2.17+ ARM64 Details
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openaraw-0.1.5-cp315-cp315-manylinux_2_17_x86_64.manylinux2014_x86_64.whl CPython 3.15 CPython 3.15 Linux glibc 2.17+ x86-64 Details
openaraw-0.1.5-cp314-cp314t-manylinux_2_17_x86_64.manylinux2014_x86_64.whl CPython 3.14 CPython 3.14 free-threading Linux glibc 2.17+ x86-64 Details
openaraw-0.1.5-cp314-cp314t-manylinux_2_17_aarch64.manylinux2014_aarch64.whl CPython 3.14 CPython 3.14 free-threading Linux glibc 2.17+ ARM64 Details
openaraw-0.1.5-cp314-cp314-win_amd64.whl CPython 3.14 CPython 3.14 Windows x86-64 Details
openaraw-0.1.5-cp314-cp314-manylinux_2_17_x86_64.manylinux2014_x86_64.whl CPython 3.14 CPython 3.14 Linux glibc 2.17+ x86-64 Details
openaraw-0.1.5-cp314-cp314-manylinux_2_17_aarch64.manylinux2014_aarch64.whl CPython 3.14 CPython 3.14 Linux glibc 2.17+ ARM64 Details
openaraw-0.1.5-cp314-cp314-macosx_11_0_arm64.whl CPython 3.14 CPython 3.14 macOS 11.0+ ARM64 Details
openaraw-0.1.5-cp314-cp314-macosx_10_12_x86_64.whl CPython 3.14 CPython 3.14 macOS 10.12+ x86-64 Details
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openaraw-0.1.5-cp313-cp313-manylinux_2_17_aarch64.manylinux2014_aarch64.whl CPython 3.13 CPython 3.13 Linux glibc 2.17+ ARM64 Details
openaraw-0.1.5-cp313-cp313-macosx_11_0_arm64.whl CPython 3.13 CPython 3.13 macOS 11.0+ ARM64 Details
openaraw-0.1.5-cp313-cp313-macosx_10_12_x86_64.whl CPython 3.13 CPython 3.13 macOS 10.12+ x86-64 Details
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openaraw-0.1.5-cp312-cp312-manylinux_2_17_aarch64.manylinux2014_aarch64.whl CPython 3.12 CPython 3.12 Linux glibc 2.17+ ARM64 Details
openaraw-0.1.5-cp312-cp312-macosx_11_0_arm64.whl CPython 3.12 CPython 3.12 macOS 11.0+ ARM64 Details
openaraw-0.1.5-cp312-cp312-macosx_10_12_x86_64.whl CPython 3.12 CPython 3.12 macOS 10.12+ x86-64 Details
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openaraw-0.1.5-cp311-cp311-manylinux_2_17_x86_64.manylinux2014_x86_64.whl CPython 3.11 CPython 3.11 Linux glibc 2.17+ x86-64 Details
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openaraw-0.1.5-cp310-cp310-manylinux_2_17_aarch64.manylinux2014_aarch64.whl CPython 3.10 CPython 3.10 Linux glibc 2.17+ ARM64 Details
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Release history Release notifications | RSS feed

1.0.0

33 release files

0.1.7

33 release files

0.1.6

33 release files

This release

0.1.5 This release

33 release files

0.1.4

33 release files

0.1.3

33 release files

0.1.2

33 release files

0.1.1

33 release files

0.1.0

33 release files

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