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v1.0.13

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@LoponteHF LoponteHF released this 24 Apr 18:09
· 8 commits to main since this release
v1.0.13
d974bed

New Features and Major Improvements:

  • Reworked and optimized the Search/Filter List function, and now it should work much better even on long glycan lists;
    • The changes made also impacts changing the QC thresholds and the list updating in real time. Now it should be more responsive.
  • Added support for sulphated and phosphorylated fragments.

Bug Fixes and Minor Improvements:

  • Fixed a bug where the glycans list wouldn't grow in size if you set the filter to 'good' and decreased the QC thresholds;
    • This happened due to limitations of the original implementation of the glycans list filtering algorithm, which is rebuilt in this version.
  • Fixed a bug where, if you used the 'up' and 'down' buttons besides the QC thresholds entry fields it wouldn't update the QC thresholds to the right values (it would stay one increment/decrement behind);
    • This happened due to a limitation in tkinter where the spinboxes would take several milliseconds to update its values, so a 100ms delay was added before checking the new value.
  • Fixed a bug where some .MzML files (lacking specific headers on spectra) wouldn't be able to use the new 'Analyze Spectrum' feature on MS2 spectra;
    • This happened due to MS2 analysis on request wasn't taking into account the possibility of no isolation window information on MS2 spectra of the .MzML file. Now it doesn't rely on that anymore.
  • Fixed a bug where .MzML files created by Waters Data Connect app could have partial isolation window information and would hang GG;
    • Weirdly enough, Waters Data Connect makes it optional to include isolation windows within the .MzML file, but if you choose not to, it still has partial isolation window information.
  • Fixed a bug where library generation of permethylated glycans would hang;
    • This occurred due to incorrect implementation of permethylation in a per monosaccharide basis, which is corrected now.
  • Fixed a bug where GG would freeze after analysis if trying to analyze MS2 data on spectra files that don't possess MS2 data;
    • This stems from lack of placeholders for the MS2 data when it is not available, but analysis is intended. This has been added and now works correctly.
  • Minor improvements to .gg file access speed in the GUI. Now the file will load faster (~33% faster) and chromatograms will load more consistently;
  • Minor changes that should improve readability of the quick-traces window. Now the text is in black and only the colored rectangle is colored;
  • Now GG Draw won't draw glycans of peaks hidden by 'Hide peaks below QC thresholds' checkbox;
  • Included a proper warning for when GG can't modify the Assets folder to add the drawn glycans figures to it and is using the temp folder instead.

The executable may be automatically blocked by Windows SmartScreen. This is default behavior from executable files built with PyInstaller and downloaded from the internet and in this case is a false alarm. Click on more info and "Run it anyway".

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