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eselmeister
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chemclipse
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Add options formula, smiles, inchi and reference for duplicate detection
Copilot Setup Steps
#11:
Commit
fcdac19
pushed by
eselmeister
15s
LibraryDuplicateDetection
LibraryDuplicateDetection
15s
View workflow file
Collect/show the invalid CAS# and let the user decide which to remove.
Copilot Setup Steps
#10:
Commit
3e852e6
pushed by
eselmeister
8s
LibraryEditorCleanup
LibraryEditorCleanup
8s
View workflow file
Update the library entries by importing data from an Excel sheet.
Copilot Setup Steps
#9:
Commit
051b113
pushed by
eselmeister
14s
LibraryEditorExcelUpdate
LibraryEditorExcelUpdate
14s
View workflow file
Additionally allow to add a penalty if the reference value is zero.
Copilot Setup Steps
#8:
Commit
4664498
pushed by
eselmeister
14s
ImprovePenaltyCalculation
ImprovePenaltyCalculation
14s
View workflow file
Remove ChromatogramEditor3x as it is not needed any longer.
Copilot Setup Steps
#7:
Commit
49602b3
pushed by
eselmeister
13s
RemoveEditor3x
RemoveEditor3x
13s
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Improve database entries merge support and move this to model bundle.
Copilot Setup Steps
#6:
Commit
9bfe0b1
pushed by
eselmeister
8s
LibraryEditor
LibraryEditor
8s
View workflow file
Use generic MarkedTraces instead of MarkedIons or MarkedWavelengths.
Copilot Setup Steps
#5:
Commit
f1599cd
pushed by
eselmeister
10s
RefactorMarkedIons
RefactorMarkedIons
10s
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Add an option to remove invalid CAS number from the library entries.
Copilot Setup Steps
#4:
Commit
4f1c698
pushed by
eselmeister
9s
DatabaseEditorClean
DatabaseEditorClean
9s
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Add target marker to display hidden peaks / identified scans.
Copilot Setup Steps
#3:
Commit
599f0a9
pushed by
eselmeister
10s
TargetMarkerHidden
TargetMarkerHidden
10s
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Allow 0 number of low/high pass to enable skipping the filter optionally
Copilot Setup Steps
#2:
Commit
d0db5a1
pushed by
eselmeister
8s
OptionalHighLowPass
OptionalHighLowPass
8s
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Delete also peaks that have only blank targets, seen as unidentified.
Copilot Setup Steps
#1:
Commit
332dea9
pushed by
eselmeister
8s
DeletePeaksUnidentifiedBlank
DeletePeaksUnidentifiedBlank
8s
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