Update q-value calculation method #128
Merged
Add this suggestion to a batch that can be applied as a single commit.
This suggestion is invalid because no changes were made to the code.
Suggestions cannot be applied while the pull request is closed.
Suggestions cannot be applied while viewing a subset of changes.
Only one suggestion per line can be applied in a batch.
Add this suggestion to a batch that can be applied as a single commit.
Applying suggestions on deleted lines is not supported.
You must change the existing code in this line in order to create a valid suggestion.
Outdated suggestions cannot be applied.
This suggestion has been applied or marked resolved.
Suggestions cannot be applied from pending reviews.
Suggestions cannot be applied on multi-line comments.
Suggestions cannot be applied while the pull request is queued to merge.
Suggestion cannot be applied right now. Please check back later.
When using the Pyteomics
qvaluesfunction, the formula argument was not set, assuming the default would be the regular first formula. However, asremove_decoyis set toFalse, the second, overly conservative, formula was used.See pyteomics.auxiliary.target_decoy.qvalues.
Additionally, the "+1" correction is now added:
The end-result is a more standard q-value calculation that is not as overly conservative. For instance, on the example file
example_files/msms.txt: