PyProphet / pyprophet

PyProphet: Semi-supervised learning and scoring of OpenSWATH results.
http://www.openswath.org
BSD 3-Clause "New" or "Revised" License
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pyprophet export ends w/o any output #65

Closed mwalzer closed 5 years ago

mwalzer commented 5 years ago

Using the version from dockerhub

$~ pyprophet --version
pyprophet, version 2.1.3

The osw file is ~160M and produced by merging several osw, scoring ms1 ms2, doing peptide and protein levels in all 3 contexts. Then,

$~ pyprophet export --in=/scratch/runs_merged.osw --out=/scratch/whatever
Info: Reading peak group-level results.
Info: Reading transition-level results.
Info: Reading protein identifiers.
Info: Reading peptide-level results.
Info: Reading protein-level results.

results in no new files. Same pipeline works well with SGS. Dunno if it is related to #49 How can I check what is going on? Is there a debug or verbose flag? How could I check if my merged osw doesnt just contain garbage (I imagine something like COUNT ... WHERE SCORE_MS2.QVALUE < 0.05 == 0)?

mwalzer commented 5 years ago

run-specific context for each file works fine:

pyprophet score --in=file_1.osw --level=ms1 score --in=file_1.osw --level=ms2 
pyprophet peptide --in=file_1.osw --context=run-specific
pyprophet protein --in=file_1.osw --context=run-specific
pyprophet export --in=file_1.osw --out=legacy.tsv

$~ ls -lah *tsv -rw-r--r-- 1 walzer agroup 1.2M Jul 19 14:35 file_1.mzML.tsv

grosenberger commented 5 years ago

pyprophet export by default already does some filtering. Can you try to set the peptide and protein level thresholds to 1.00? Does that result in any TSV files?

mwalzer commented 5 years ago

You mean --max_rs_peakgroup_qvalue & --max_global_protein_qvalue ? Yep, that yields tsv files (:cry: this probably means either my data or my pqp is really bad?) Small feature request: would be nice to have a notification/warning that all results have been filtered, hence no result file.

grosenberger commented 5 years ago

Yes, but if you built a sample-specific library, a common issue might be that RT normalization did not work out.

Thanks for the suggestion, we should definitely add such a warning.