Mass Spectrometry Data Processing for Metabolomics and Lipidomics

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Features

  • New feature
    • Enable LC-IM-MS (4D) data processing for Bruker timsPro
      • Only PASEF-DDA data supported. 
      • Only MS2 spectra oriented button-up peak assembly is supported for 4D data
      • Only detect peaks with 'Extrema' method is supported for 4D data ('centWave' for LC-MS data only)
  • Updates
    • Enable ms2 acquisition method setup
    • Disable polarity swith mode for Q-Tof acquisition
    • Enable auto span increasing for failed loess regression 
  • Bug fix
    • Some bugs in data processing
    • Bugfix in processing Bruker TOF (LC-MS) data (v2.0.1)
    • Bugfix in MSMS assignment for DDA data (v2.0.2)
    • Bugfix in peak grouping for IMS data (v2.0.2)
    • Remove MSMS spectra before / after the first / last MS1 scan records (v2.0.3)
    • Bugfix for exporting noise fragments in assigned MSMS spectrum (v2.0.3)
  • CAUTION
    • Met4DX 2.0 is not compatible with previous versions (Met4DX 1.0) in projects and temp results. Please creat new project and clear previous temp results before starting new analysis with the new version
    • It was highly recommanded to clear temp results before prcessing already processed data for minor updated versions
  • Coming up soon
    •  4D data processing for DIA mode (including PASAF-DIA/AIF/MSE for Bruker timsPro/Waters/Agilent instruments

Other versions

Met4DX 1.2.0
  • Supprt both 3D LC-MS data
  • User-friendly graphic user interface (GUI) 
  • Pre-defined parameter sets for different instruments and data acquistion methods
  • One-click for all data processing steps
  • Export results to other tools (MetDNA, MetTracer, and MetFlow)