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v0.10.0

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@saifulbkhan saifulbkhan released this 18 Mar 12:33
ee73029

Features:

  • Improve untargeted detection #152 #313 #616 #1053
  • Enable detection of common adducts #475
  • Allow pushing session data directly to Polly projects
  • Enable automatic notification and updates from within the application
  • Visualize integrated area under peak-groups #782
  • Export sample metadata file template #1171

UI/UX:

  • Replaced icons new ones
  • Add close buttons to all widgets #939
  • Warn user about sample load failure #676
  • Update isotope plot on peak-group selection #703
  • Allow ignoring close event (with a “No” response)
  • Make "Peak Detection" dialog more compact #1161
  • Allow “unmarking” peak-groups #171
  • Show “NA” for absent sample number in tooltip #358
  • Add “Sample Number” column to samples widget #358
  • View abundance in user-set quant type in isotope widget #571
  • Draw baseline in-front of corresponding EIC #960

Bug fixes:

  • Prevent CLI crash on invalid sample strings
  • Perform time unit conversion for mzML scans #1176
  • Incorrect peak count in results table
  • Missing mz-intensity pairs from scans
  • Mark C12 PARENT peak-group as same as parent #537
  • Filter formula string for special characters #1168
  • Export isotope labels in peak-detailed format
  • Use double for Isotope object constructor #393
  • Prevent updates to weights of neural network with subsequent detections
  • Fix RT delta values not shown for untargeted+DB detection #1204
  • Re-enable running concurrent sessions #1215
  • Fix crash on switching tolerance sync button with empty EIC #1230
  • Resolve compound suffixes over sessions #1003
  • Fix internet connectivity check #1239
  • Fix incorrect report of good peak count #1142

Misc:

  • Read El-MAVEN's settings file in CLI #1163
  • Add an option to export non-bad peak-groups #171
  • Read normalisation factor from sample metadata
  • Refactored and added doctest-based testing for JsonReports and CSVReports
  • Replace random number generation with std library-based utilities
  • Remove optional “user selected isotope” export
  • Read neutral masses from compound DB (“mass” column)
  • Allow RT-restriction for untargeted+DB matching #1203
  • Parallelize mass-slicing step #250
  • Remove “Getting Started” dialog