OpenARaw
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.
1 maintainer
Metadata
1 maintainer
Release files for openaraw 0.1.4
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Source distribution (sdist)
| File | Size | Uploaded | |
|---|---|---|---|
| openaraw-0.1.4.tar.gz | 26.2 kB | Details |
Built distributions (wheels)
Total release size: 9.8 MB
Release files / openaraw-0.1.4.tar.gz
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