OpenSXRaw
Part of the OpenMassSpec stack for mass spectrometry raw-file access.
Rust and Python reader for SCIEX .wiff/.wiff.scan legacy mass
spectrometry data files, with no SCIEX SDK or software dependency.
Covers the TripleTOF and QTRAP instrument families.
Documentation: sigilweaver.app/opensxraw/docs
Install
Prefer openmassspec-io
with the sciex feature 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 sciex
pip install openmassspec[sciex]
Standalone:
Rust:
cargo add opensxraw
Python:
pip install opensxraw
Quickstart
Rust:
use opensxraw::reader::Reader;
use openmassspec_core::SpectrumSource;
let mut reader = Reader::open("sample.wiff")?;
for spectrum in reader.iter_spectra() {
println!("{}: {} peaks", spectrum.native_id, spectrum.mz.len());
}
Python:
import opensxraw
reader = opensxraw.RawReader("sample.wiff")
spectrum = reader.read_spectrum(0)
print(spectrum.ms_level, spectrum.retention_time_sec, len(spectrum.mz))
Reader::open (and RawReader) expects the paired .wiff.scan file to
sit alongside the .wiff file, with .scan appended to the .wiff
filename.
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 opensxraw 0.2.5
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Source distribution (sdist)
| File | Size | Uploaded | |
|---|---|---|---|
| opensxraw-0.2.5.tar.gz | 51.0 kB | Details |
Built distributions (wheels)
Total release size: 10.5 MB
Release files / opensxraw-0.2.5.tar.gz
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| Size | 51.0 kB |
| Tags | Source |
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