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Instead of just highlighting the masses that match the experimental spectra we could add an option to remove all the branches that do not match the experimental masses.
function trimTree in openchemlib-utils should be useful for this.
The text was updated successfully, but these errors were encountered:
Instead of just highlighting the masses that match the experimental spectra we could add an option to remove all the branches that do not match the experimental masses.
function trimTree in openchemlib-utils should be useful for this.
The text was updated successfully, but these errors were encountered: