This release has been yanked by its maintainers, and will be ignored by installers, except when explicitly specified.
Consider using release 1.0.0 instead.
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 0.2.0
For a detailed explanation of source distributions (sdists) and built distributions (wheels), please see the package formats documentation.
Source distribution (sdist)
| File | Size | Uploaded | |
|---|---|---|---|
| openaraw-0.2.0.tar.gz | 34.8 kB | Details |
Built distributions (wheels)
Total release size: 12.3 MB
Release files / openaraw-0.2.0.tar.gz
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