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Crate openszraw

Crate openszraw 

Source
Expand description

Rust reader for Shimadzu LabSolutions mass spectrometry raw data.

Supports four 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 LabSolutions LC-MS, single-quadrupole family (Mass Raw Data storage, e.g. Shimadzu LCMS-2020) - full-scan profile spectra, see docs/format/07-mass-raw-data-single-quad.md.

.lcd files are dispatched between these families 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.

A separate, unrelated stream - LC Raw Data/Chromatogram ChN (conventional UV/RID-style LC detector channels) - is decoded and exposed via openmassspec_core::SpectrumSource::iter_chromatograms, see raw::lc_chrom and docs/format/04-lcd-chromatogram-pda.md’s “LC Raw Data Chromatogram Ch5/Ch6 decode” section.

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