Crate timsrust

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

Structs

• FileReader
  A reader to read frames and spectra.
• Frame
  A frame with all unprocessed data as it was acquired.
• Frame2RtConverter
  A converter from Frame -> retention time.
• Precursor
  An MS1 precursor that got selected for fragmentation.
• Scan2ImConverter
  A converter from Scan -> ion mobility.
• Spectrum
  An MS2 spectrum with centroided mz values and summed intensities.
• Tof2MzConverter
  A converter from TOF -> m/z.

Enums

• AcquisitionType
  The kind of acquisition that was used.
• Error
  An error that is produced by timsrust (uses thiserror).
• FrameType
  The kind of frame, determined by acquisition.
• QuadrupoleEvent
  A type of quadrupole selection.

Traits

• ConvertableIndex
  Converting from an index domain (e.g. Time of Flight) to a continuous domain (m/z).