Expand description
This crate allows to read Bruker TimsTOF data.
§Basics
Two primary data types are exposed:
- Spectra: A traditional representation that expresses intensitites in function of mz values for a given precursor.
- Frames: All recorded data from a single TIMS elution (i.e. at one specific retention_time).
§File formats
Two file formats are supported:
- Bruker .d folder containing:
- analysis.tdf
- analysis.tdf_bin
- miniTDF - ProteoScape optimized Bruker file-format. Similar to TDF, miniTDF consists of multiple files: a binary ‘.bin’
and an index ‘.parquet’ file. The file-names are made up to the following convention:
<producing-engine-name>.<domain-name>.<extension>. e.g. for MS2 spectrum information:<producing-engine-name>.ms2spectrum.<extension>. Therefore the following files are expected in the provided ms2 folder:- *.ms2spectrum.bin
- *.ms2spectrum.parquet
Modules§
- converters
- Allows conversions between domains (e.g. Time of Flight and m/z)
- readers
- Readers for all data from Bruker compatible files.
- writers
- Writers to generic file formats.
Structs§
- Frame
- A frame with all unprocessed data as it was acquired.
- Metadata
- Metadata from a single run.
- Precursor
- The MS1 precursor that got selected for fragmentation.
- Quadrupole
Settings - The quadrupole settings used for fragmentation.
- Spectrum
- An MS2 spectrum with centroided mz values and summed intensities.
Enums§
- Acquisition
Type - The kind of acquisition that was used.
- MSLevel
- The MS level used.
- Tims
Rust Error - An error that is produced by timsrust (uses thiserror).