Removing CHNOPS adducts from decoy pool #1466
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Having CHNOPS based adducts will increase the chance for a generated decoy ion to be isomeric or isobaric to an ion of a real molecule. As this affects the FDR calculation, it's important to remove those adducts from the decoy selection pool.
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@theodev Look at this PR from the point of view of science. I think we should regenerate all |
sergii-mamedov
approved these changes
Feb 2, 2024
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Having CHNOPS based adducts will increase the chance for a generated decoy ion to be isomeric or isobaric to an ion of a real molecule. As this affects the FDR calculation, it's important to remove those adducts from the decoy selection pool.