Opened 5 years ago

#190 new task

Distinguish isomeric structures

Reported by: Rene Ranzinger Owned by:
Priority: normal Milestone: Wish list
Component: MS annotation management Version: GRITS 0.9.x
Severity: major Keywords:


Implement strategies to distinguish isomeric structures or find evidence for mixture of structures:

  • Based on the candidate structures calculate distinguishing fragments
    • Render the found fragments in a separate windows for user interaction
    • Use the ration of this fragments to assign ration of mixtures

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