Instrument families

OpenSXRaw's corpus covers two SCIEX instrument families that both use the legacy .wiff/.wiff.scan container:

TripleTOF

Quadrupole time-of-flight instruments (TripleTOF 5600/6600 confirmed in the validation corpus). TripleTOF acquisitions run high-resolution DDA (data-dependent acquisition) or DIA/SWATH workflows, and make heavy use of TOF-specific calibration telemetry (TOFCalibrationData, TDCStatistics) and ExperimentTOF method blocks - see Format specification.

QTRAP

Triple-quadrupole linear ion trap instruments (QTRAP 5500/6500 confirmed in the validation corpus) typically running scheduled MRM/SRM targeted acquisitions (sMRM/sMRMEX method blocks). QTRAP is nominal-mass, not true time-of-flight, unlike TripleTOF.

How the reader tells them apart

The reader uses the TOFCalibrationData stream. TripleTOF and ZenoTOF files carry a (slope, intercept) body there; QTRAP files carry only a header. When the body is present, spectra are reported with Analyzer::TOFMS and m/z from a per-file linear calibration (not accurate, see Known issues in the README); otherwise with Analyzer::TQMS and raw-bin m/z. Across the 200-file local corpus this signal agreed with the presence of ExperimentTOF method streams and with every embedded instrument-name hint. When the Log stream carries a self-identification record, run_metadata().instrument also names the specific model.