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Crate openszraw

Crate openszraw 

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Rust reader for Shimadzu LabSolutions mass spectrometry raw data.

Supports three on-disk variants, all OLE2/CFBF containers (see docs/format/01-ole2-container.md):

  • .qgd GCMSsolution GC-MS data (GCMS Raw Data storage) - full-scan profile spectra and MRM/targeted transitions, see docs/format/02-gcms-qgd-scans.md.
  • .lcd LabSolutions LC-MS, IT-TOF family (TTFL Raw Data storage) - run-length-encoded sparse profile spectra, calibrated to physical m/z from the file’s own embedded TOF tuning data, see docs/format/03-lcd-ttfl-msdata.md and docs/format/06-known-limitations.md.
  • .lcd LabSolutions LC-MS, QTOF family (QTFL RawData storage) - calibrated centroid spectra, see docs/format/05-qtfl-centroid.md.

.lcd files are dispatched between IT-TOF and QTOF by checking which top-level CFBF storage is present, never by filename. PDA 3D Raw Data (secondary UV detector) is out of scope for this crate, see docs/format/04-lcd-chromatogram-pda.md.

Re-exports§

pub use reader::Reader;

Modules§

raw
Low-level parsing modules for .qgd and .lcd files.
reader
High-level reader for Shimadzu .qgd / .lcd files.

Enums§

Error

Type Aliases§

Result