I updated triqler and tried it again. I do get the results, but also some warnings that you may be interested in:
[Anaconda3] C:\Users\nmpalmblad\My Documents\Projects\triqler>triqler --fold_cha
nge_eval 0.8 iPRG2016.tsv
Triqler version 0.1.3
Copyright (c) 2018 Matthew The. All rights reserved.
Written by Matthew The (matthew.the@scilifelab.se) in the
School of Engineering Sciences in Chemistry, Biotechnology and Health at the
Royal Institute of Technology in Stockholm.
Parsing triqler input file
Calculating identification PEPs
featureClusterIdx: 0
featureClusterIdx: 10000
Dividing intensities by 100000 for increased readability
Surviving spectrumIdxs: 12452
Converting to peptide quant rows
Calculating peptide-level identification PEPs
Writing peptide quant rows to file
Fitting hyperparameters
params["muDetect"], params["sigmaDetect"] = 1.048101, 0.376366
params["muXIC"], params["sigmaXIC"] = 3.277408, 0.951171
params["muProtein"], params["sigmaProtein"] = 0.066833, 0.239527
params["muFeatureDiff"], params["sigmaFeatureDiff"] = -0.014124, 0.148583
params["shapeInGroupStdevs"], params["scaleInGroupStdevs"] = 1.027202, 0.089210
Calculating protein quants
Traceback (most recent call last):
File "c:\users\nmpalmblad\appdata\local\continuum\anaconda3\lib\runpy.py", lin
e 170, in _run_module_as_main
"main", mod_spec)
File "c:\users\nmpalmblad\appdata\local\continuum\anaconda3\lib\runpy.py", lin
e 85, in _run_code
exec(code, run_globals)
File "C:\Users\nmpalmblad\AppData\Local\Continuum\Anaconda3\Scripts\triqler.ex
e__main__.py", line 9, in
File "c:\users\nmpalmblad\appdata\local\continuum\anaconda3\lib\site-packages\
triqler\triqler.py", line 35, in main
runTriqler(params, args.in_file, args.out_file)
File "c:\users\nmpalmblad\appdata\local\continuum\anaconda3\lib\site-packages\
triqler\triqler.py", line 102, in runTriqler
diff_exp.doDiffExp(params, peptQuantRows, triqlerOutputFile, getPickedProtei
nCalibration, selectComparisonBayesTmp, qvalMethod = qvalMethod)
File "c:\users\nmpalmblad\appdata\local\continuum\anaconda3\lib\site-packages\
triqler\diff_exp.py", line 17, in doDiffExp
proteinOutputRows = proteinQuantificationMethod(peptQuantRows, params, prote
inModifier, getEvalFeatures)
File "c:\users\nmpalmblad\appdata\local\continuum\anaconda3\lib\site-packages\
triqler\triqler.py", line 360, in getPickedProteinCalibration
posteriors = processingPool.checkPool(printProgressEvery = 50)
File "c:\users\nmpalmblad\appdata\local\continuum\anaconda3\lib\site-packages\
triqler\multiprocessing_pool.py", line 19, in checkPool
outputs.append(res.get(True))
File "c:\users\nmpalmblad\appdata\local\continuum\anaconda3\lib\multiprocessin
g\pool.py", line 604, in get
c:\users\nmpalmblad\appdata\local\continuum\anaconda3\lib\site-packages\scipy\st
ats_distn_infrastructure.py:876: RuntimeWarning: invalid value encountered in g
reater_equal
return (self.a <= x) & (x <= self.b)
raise TimeoutError
c:\users\nmpalmblad\appdata\local\continuum\anaconda3\lib\site-packages\scipy\st
ats_distn_infrastructure.py:876: RuntimeWarning: invalid value encountered in l
ess_equal
return (self.a <= x) & (x <= self.b)
multiprocessing.context.TimeoutError
c:\users\nmpalmblad\appdata\local\continuum\anaconda3\lib\site-packages\scipy\st
ats_distn_infrastructure.py:876: RuntimeWarning: invalid value encountered in g
reater_equal
return (self.a <= x) & (x <= self.b)
c:\users\nmpalmblad\appdata\local\continuum\anaconda3\lib\site-packages\scipy\st
ats_distn_infrastructure.py:876: RuntimeWarning: invalid value encountered in l
ess_equal
return (self.a <= x) & (x <= self.b)
c:\users\nmpalmblad\appdata\local\continuum\anaconda3\lib\site-packages\scipy\st
ats_distn_infrastructure.py:876: RuntimeWarning: invalid value encountered in g
reater_equal
return (self.a <= x) & (x <= self.b)
c:\users\nmpalmblad\appdata\local\continuum\anaconda3\lib\site-packages\scipy\st
ats_distn_infrastructure.py:876: RuntimeWarning: invalid value encountered in l
ess_equal
return (self.a <= x) & (x <= self.b)
c:\users\nmpalmblad\appdata\local\continuum\anaconda3\lib\site-packages\scipy\st
ats_distn_infrastructure.py:876: RuntimeWarning: invalid value encountered in g
reater_equal
return (self.a <= x) & (x <= self.b)
c:\users\nmpalmblad\appdata\local\continuum\anaconda3\lib\site-packages\scipy\st
ats_distn_infrastructure.py:876: RuntimeWarning: invalid value encountered in l
ess_equal
return (self.a <= x) & (x <= self.b)
Dear Matthew,
I updated triqler and tried it again. I do get the results, but also some warnings that you may be interested in:
[Anaconda3] C:\Users\nmpalmblad\My Documents\Projects\triqler>triqler --fold_cha nge_eval 0.8 iPRG2016.tsv Triqler version 0.1.3 Copyright (c) 2018 Matthew The. All rights reserved. Written by Matthew The (matthew.the@scilifelab.se) in the School of Engineering Sciences in Chemistry, Biotechnology and Health at the Royal Institute of Technology in Stockholm.
Parsing triqler input file Calculating identification PEPs featureClusterIdx: 0 featureClusterIdx: 10000 Dividing intensities by 100000 for increased readability Surviving spectrumIdxs: 12452 Converting to peptide quant rows Calculating peptide-level identification PEPs Writing peptide quant rows to file Fitting hyperparameters params["muDetect"], params["sigmaDetect"] = 1.048101, 0.376366 params["muXIC"], params["sigmaXIC"] = 3.277408, 0.951171 params["muProtein"], params["sigmaProtein"] = 0.066833, 0.239527 params["muFeatureDiff"], params["sigmaFeatureDiff"] = -0.014124, 0.148583 params["shapeInGroupStdevs"], params["scaleInGroupStdevs"] = 1.027202, 0.089210 Calculating protein quants Traceback (most recent call last): File "c:\users\nmpalmblad\appdata\local\continuum\anaconda3\lib\runpy.py", lin e 170, in _run_module_as_main "main", mod_spec) File "c:\users\nmpalmblad\appdata\local\continuum\anaconda3\lib\runpy.py", lin e 85, in _run_code exec(code, run_globals) File "C:\Users\nmpalmblad\AppData\Local\Continuum\Anaconda3\Scripts\triqler.ex e__main__.py", line 9, in
File "c:\users\nmpalmblad\appdata\local\continuum\anaconda3\lib\site-packages\
triqler\triqler.py", line 35, in main
runTriqler(params, args.in_file, args.out_file)
File "c:\users\nmpalmblad\appdata\local\continuum\anaconda3\lib\site-packages\
triqler\triqler.py", line 102, in runTriqler
diff_exp.doDiffExp(params, peptQuantRows, triqlerOutputFile, getPickedProtei
nCalibration, selectComparisonBayesTmp, qvalMethod = qvalMethod)
File "c:\users\nmpalmblad\appdata\local\continuum\anaconda3\lib\site-packages\
triqler\diff_exp.py", line 17, in doDiffExp
proteinOutputRows = proteinQuantificationMethod(peptQuantRows, params, prote
inModifier, getEvalFeatures)
File "c:\users\nmpalmblad\appdata\local\continuum\anaconda3\lib\site-packages\
triqler\triqler.py", line 360, in getPickedProteinCalibration
posteriors = processingPool.checkPool(printProgressEvery = 50)
File "c:\users\nmpalmblad\appdata\local\continuum\anaconda3\lib\site-packages\
triqler\multiprocessing_pool.py", line 19, in checkPool
outputs.append(res.get(True))
File "c:\users\nmpalmblad\appdata\local\continuum\anaconda3\lib\multiprocessin
g\pool.py", line 604, in get
c:\users\nmpalmblad\appdata\local\continuum\anaconda3\lib\site-packages\scipy\st
ats_distn_infrastructure.py:876: RuntimeWarning: invalid value encountered in g
reater_equal
return (self.a <= x) & (x <= self.b)
raise TimeoutError
c:\users\nmpalmblad\appdata\local\continuum\anaconda3\lib\site-packages\scipy\st
ats_distn_infrastructure.py:876: RuntimeWarning: invalid value encountered in l
ess_equal
return (self.a <= x) & (x <= self.b)
multiprocessing.context.TimeoutError
c:\users\nmpalmblad\appdata\local\continuum\anaconda3\lib\site-packages\scipy\st
ats_distn_infrastructure.py:876: RuntimeWarning: invalid value encountered in g
reater_equal
return (self.a <= x) & (x <= self.b)
c:\users\nmpalmblad\appdata\local\continuum\anaconda3\lib\site-packages\scipy\st
ats_distn_infrastructure.py:876: RuntimeWarning: invalid value encountered in l
ess_equal
return (self.a <= x) & (x <= self.b)
c:\users\nmpalmblad\appdata\local\continuum\anaconda3\lib\site-packages\scipy\st
ats_distn_infrastructure.py:876: RuntimeWarning: invalid value encountered in g
reater_equal
return (self.a <= x) & (x <= self.b)
c:\users\nmpalmblad\appdata\local\continuum\anaconda3\lib\site-packages\scipy\st
ats_distn_infrastructure.py:876: RuntimeWarning: invalid value encountered in l
ess_equal
return (self.a <= x) & (x <= self.b)
c:\users\nmpalmblad\appdata\local\continuum\anaconda3\lib\site-packages\scipy\st
ats_distn_infrastructure.py:876: RuntimeWarning: invalid value encountered in g
reater_equal
return (self.a <= x) & (x <= self.b)
c:\users\nmpalmblad\appdata\local\continuum\anaconda3\lib\site-packages\scipy\st
ats_distn_infrastructure.py:876: RuntimeWarning: invalid value encountered in l
ess_equal
return (self.a <= x) & (x <= self.b)
[Anaconda3] C:\Users\nmpalmblad\My Documents\Projects\triqler>