OpenSXRaw
OpenSXRaw is one of the vendor readers in
OpenMassSpec, a Rust- and
Python-native stack for proteomics raw-file access. Sibling readers:
OpenTFRaw (Thermo .raw),
OpenWRaw (Waters .raw/),
OpenTimsTDF (Bruker .d/),
OpenARaw (Agilent .d/).
OpenSXRaw is a Rust library that reads SCIEX .wiff/.wiff.scan legacy
mass-spectrometry data files - the paired-file binary format produced by
SCIEX TripleTOF and QTRAP instruments running Analyst acquisition
software.
It runs on Linux, macOS, and Windows, with no dependency on any SCIEX SDK
or software. The format was decoded by clean-room binary analysis of a
public corpus of mass-spectrometry datasets (PRIDE accessions); see
CORPUS.md.
What it covers
| Component | Status |
|---|---|
.wiff CFBF container (method/sample metadata, Idx stream) | supported |
.wiff.scan block index and token-stream decoding | supported |
| TripleTOF instrument family | supported |
| QTRAP instrument family | supported |
.wiff2 container | investigated, not readable - see Format specification |
m/z calibration (ExperimentTOF constants) | not yet decoded - m/z is a raw time-bin integer |
MS2 precursor m/z (DDERealTimeDataEx) | not yet decoded |
Validated against real-world TripleTOF 5600 corpus data end to end (2228 scans decoded from a single fixture run); broader corpus-wide conformance testing has not been run yet.
Next steps
- Install the Rust crate.
- Run through the Quickstart.
- Read the Format specification for the binary layer.
License
OpenSXRaw is Apache-2.0 licensed. See License.