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):
.qgdGCMSsolution GC-MS data (GCMS Raw Datastorage) - full-scan profile spectra and MRM/targeted transitions, seedocs/format/02-gcms-qgd-scans.md..lcdLabSolutions LC-MS, IT-TOF family (TTFL Raw Datastorage) - run-length-encoded sparse profile spectra, calibrated to physical m/z from the file’s own embedded TOF tuning data, seedocs/format/03-lcd-ttfl-msdata.mdanddocs/format/06-known-limitations.md..lcdLabSolutions LC-MS, QTOF family (QTFL RawDatastorage) - calibrated centroid spectra, seedocs/format/05-qtfl-centroid.md..lcdLabSolutions LC-MS, single-quadrupole family (Mass Raw Datastorage, e.g. Shimadzu LCMS-2020) - full-scan profile spectra, seedocs/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
.qgdand.lcdfiles. - reader
- High-level reader for Shimadzu
.qgd/.lcdfiles.