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
  - Support PASEF-DDA data, Agilent/Waters MS1-only data
  - Both MS1 and MS2 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)
  - Supports sample alignment using 'Obi-warp' and 'Landmarks' for 4D data
Updates
- Memory cost optimization for data analysis
- Peak target finding optimization in LC-MS data analysis
- 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
CAUTION
- Met4DX 2.2 is not compatible with previous versions (Met4DX 1.0 and 2.0) 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

Met4DX 2.1.3

Enable LC-IM-MS (4D) data processing for Bruker timsPro
- Only PASEF-DDA data supported.
- Both MS1 and MS2 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)
- Supports sample alignment using 'Obi-warp' and 'Landmarks' for 4D data
Add lipidomics identification using Lipid4DAnalyzer

Met4DX 2.0.3

Enable LC-IM-MS (4D) data processing for Bruker timsPro
Only PASEF-DDA data supported.
Only MS2 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)

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)