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mzmine / mzmine

mzmine source code repository
https://mzmine.github.io/mzmine_documentation/
MIT License
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Spectral library generation - Roadmap #1918

Open robinschmid opened 2 weeks ago

robinschmid commented 2 weeks ago

Things to add and change in the spectral library generation. A collection of ideas.

SteffenHeu commented 2 weeks ago
Philipbear commented 2 weeks ago
  1. export the total number of all found ion forms at the same RT window
  2. export modified cosine scores to spectra of other ion forms (within the RT window)
Philipbear commented 2 weeks ago

would be great if a detailed explanation of the score in 'Other matched compounds' can be provided.