MSFTBX: Mass-Spec File Toolbox, the data access library

The data access library is at the core of BatMass, but is a separate standalone project. It can be used in regular Java programs (read as a jar library) and NetBeans platform applications via the included NetBeans Module wrapper.

Features

  • Single API to mzML and mzXML files
  • mzML and mzXML parsing
    • Very fast multi-threaded parser
    • Can separately parse LC/MS run information, the index and data
    • Separation of parsing of scan meta-information and spectral data
    • Automatic indexing of the data
      • maps from scan numbers to scans
      • maps from retention time to scans
      • same maps separately at each MS level
      • automatic DIA (data Independent Acquisition) detection and automated grouping of DIA MS2 scans according to the corresponding isolation windows
    • Memory management
      • can parse the whole structure of the run (all scans with all meta-info) and dynamically parse spectral data from the disk only when it’s accessed
      • an object can be used as the ‘owner’ of loaded data, if the ‘owner’ is garbage collected, and no other ‘owners’ claimed the scans, the corresponding resources can be automatically released
    • Tolerance to broken index
      • automatically detects errors in the index, such as all scan offsets are the same (which happens with some versions of ProteoWizard’s msconvert when converting large files)
      • if the index is not present, will reindex the file
    • Tolerance to MS2 scan tags being enclosed in the corresponding MS1 scan tag (old data converted with ReAdW)
  • PepXML parsing/writing
  • ProtXML parsing/writing
  • MzIdentML parsing/writing

Usage

Take a look at this tutorial for a short introduction and check the sources at github.