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PNNL-PreProcessor 5.0 2024.05.31

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@FarmGeek4Life FarmGeek4Life released this 31 May 19:33
· 6 commits to main since this release
v5.0
a5caa24

Github This Release Release User Guide
Release 5.0 2024.05.31

Known issues with IM to DDA Conversion:

  • Recentroiding the DDA_3D.d file (output from the PNNL-PreProcessor) is recommended for most workflows. Some downstream data analysis workflows require it (i.e. Protein Digest Workflow in BioConfirm) and other workflows will run much faster with centroid data. This can be done with AgtTofReprocessUi.exe located in the Bin folder of MassHunter Qualitative Analysis.
  • Recentroiding does not currently work for Mobility Aligned Fragmentation data collected in two separate runs from the MOBIE-QTOF instrument.
  • Some downstream data analysis workflows (i.e. Protein Digest Workflow in BioConfirm) cannot process DDA_3D.d files that have had Moving Average Smoothing performed in the chromatographic dimension on the original 4D IM .d data file.
  • IM to DDA tab is not yet available via command line interface.
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