OpenSZRaw
OpenSZRaw is one of the vendor readers in
OpenMassSpec, a Rust- and
Python-native stack for mass-spectrometry raw-file access. Sibling readers:
OpenTFRaw (Thermo .raw),
OpenWRaw (Waters .raw/),
OpenTimsTDF (Bruker .d/),
OpenARaw (Agilent .d/),
OpenSXRaw (SCIEX .wiff).
OpenSZRaw is a Rust library (with Python bindings) that reads Shimadzu
LabSolutions mass-spectrometry raw data: .qgd GC-MS files and .lcd
LC-MS files, covering both the IT-TOF and QTOF (9030-series) instrument
families.
It runs with no dependency on any Shimadzu SDK or software. The format
was decoded by clean-room binary analysis of public mass-spectrometry
datasets (PRIDE, MassIVE, and MetaboLights accessions); see
CORPUS.md.
What it covers
| Component | Status |
|---|---|
| OLE2/CFBF container (shared by all three variants) | supported |
.qgd GC-MS, full-scan profile mode | supported |
.qgd GC-MS, MRM/targeted mode | supported |
.lcd IT-TOF (run-length-encoded profile spectra) | supported, calibrated to physical m/z - see known limitations |
.lcd QTOF / 9030 series (centroid spectra) | supported |
QTOF MS2 precursor m/z (QTFL RawData/DDA) | not yet decoded |
| PDA / UV chromatogram streams | out of scope for this reader; encoding not decoded |
Reader::open (and Python's 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.
Status
Published on crates.io and PyPI as openszraw, v0.1.0. Wired into
openmassspec-io 1.5.0+
as a shimadzu feature. See Install for how to add it to
your project today.
Next steps
- Install from source.
- Run through the Quickstart.
- Read the Format specification for the binary layer.
License
OpenSZRaw is Apache-2.0 licensed. See License.