OpenSZRaw
Part of the OpenMassSpec stack for mass spectrometry raw-file access.
Rust and Python reader for Shimadzu LabSolutions mass spectrometry raw
data (.lcd LC-MS, .qgd GCMS, .gcd GC), with no Shimadzu SDK or
software dependency. Covers .qgd GC-MS (full-scan profile and
MRM/targeted) and .lcd LC-MS across IT-TOF (profile) and QTOF
(centroid) acquisitions.
Documentation: sigilweaver.app/openszraw/docs
Install
Prefer openmassspec-io
with the shimadzu 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 shimadzu
pip install openmassspec[shimadzu]
Standalone:
Rust:
cargo add openszraw
Python:
pip install openszraw
Quickstart
Rust:
use openszraw::reader::Reader;
use openmassspec_core::SpectrumSource;
let mut reader = Reader::open("sample.lcd")?;
for spectrum in reader.iter_spectra() {
println!("{}: {} peaks", spectrum.native_id, spectrum.mz.len());
}
Python:
import openszraw
reader = openszraw.RawReader("sample.lcd")
spectrum = reader.read_spectrum(0)
print(spectrum.ms_level, spectrum.retention_time_sec, len(spectrum.mz))
Reader::open (and RawReader) auto-detects .qgd vs .lcd IT-TOF vs
.lcd QTOF from the file's internal CFBF stream layout, never from the
filename or extension alone.
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, MassIVE, and MetaboLights accessions). See CORPUS.md and ATTRIBUTION.md.
1 maintainer
Metadata
1 maintainer
Release files for openszraw 0.2.0
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| File | Size | Uploaded | |
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| openszraw-0.2.0.tar.gz | 52.2 kB | Details |
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