dear list,

when trying to run xinteract on some pep.xml files generated with spectrast
i run quite often in an NAN probability density error:



 xinteract
 
-N/cluster/scratch/malars/pgrade/PS_TPP_develop_280/PSet_39/collector/LIB/spectrast_xinteract/Spectrast_Xinteract.pep.xml
-OAlIw
/cluster/scratch/malars/pgrade/PS_TPP_develop_280/PSet_39/collector/LIB/spectraST/spectrastlib_raw/aquandt_M1002_191.pep.xml
/cluster/scratch/malars/pgrade/PS_TPP_develop_280/PSet_39/collector/LIB/spectraST/spectrastlib_raw/aquandt_M1002_192.pep.xml
/cluster/scratch/malars/pgrade/PS_TPP_develop_280/PSet_39/collector/LIB/spectraST/spectrastlib_raw/aquandt_M1002_194.pep.xml
/cluster/scratch/malars/pgrade/PS_TPP_develop_280/PSet_39/collector/LIB/spectraST/spectrastlib_raw/aquandt_M1002_195.pep.xml

xinteract (TPP v4.4 VUVUZELA rev 0, Build 201008252227 (linux))

running: "/cluster/apps/tpp/4.4.0/bin/InteractParser
'/cluster/scratch/malars/pgrade/PS_TPP_develop_280/PSet_39/collector/LIB/spectrast_xinteract/Spectrast_Xinteract.pep.xml'
'/cluster/scratch/malars/pgrade/PS_TPP_develop_280/PSet_39/collector/LIB/spectraST/spectrastlib_raw/aquandt_M1002_191.pep.xml'
'/cluster/scratch/malars/pgrade/PS_TPP_develop_280/PSet_39/collector/LIB/spectraST/spectrastlib_raw/aquandt_M1002_192.pep.xml'
'/cluster/scratch/malars/pgrade/PS_TPP_develop_280/PSet_39/collector/LIB/spectraST/spectrastlib_raw/aquandt_M1002_194.pep.xml'
'/cluster/scratch/malars/pgrade/PS_TPP_develop_280/PSet_39/collector/LIB/spectraST/spectrastlib_raw/aquandt_M1002_195.pep.xml'
-L'7'"
 file 1:
/cluster/scratch/malars/pgrade/PS_TPP_develop_280/PSet_39/collector/LIB/spectraST/spectrastlib_raw/aquandt_M1002_191.pep.xml
 file 2:
/cluster/scratch/malars/pgrade/PS_TPP_develop_280/PSet_39/collector/LIB/spectraST/spectrastlib_raw/aquandt_M1002_192.pep.xml
 file 3:
/cluster/scratch/malars/pgrade/PS_TPP_develop_280/PSet_39/collector/LIB/spectraST/spectrastlib_raw/aquandt_M1002_194.pep.xml
 file 4:
/cluster/scratch/malars/pgrade/PS_TPP_develop_280/PSet_39/collector/LIB/spectraST/spectrastlib_raw/aquandt_M1002_195.pep.xml
 processed altogether 50145 results


 results written to file
/cluster/scratch/malars/pgrade/PS_TPP_develop_280/PSet_39/collector/LIB/spectrast_xinteract/Spectrast_Xinteract.pep.shtml



command completed in 27 sec

running: "/cluster/apps/tpp/4.4.0/bin/PeptideProphetParser
'/cluster/scratch/malars/pgrade/PS_TPP_develop_280/PSet_39/collector/LIB/spectrast_xinteract/Spectrast_Xinteract.pep.xml'
ACCMASS LEAVE PI INSTRWARN"
using Accurate Mass Bins
using pI
Using no error on different instrument types.
 (SpectraST)
adding Accurate Mass mixture distr
adding pI mixture distr
init with SpectraST trypsin
MS Instrument info: Manufacturer: Thermo Scientific, Model: LTQ Orbitrap XL,
Ionization: nanoelectrospray, Analyzer: orbitrap, Detector: inductive
detector

 PeptideProphet  (TPP v4.4 VUVUZELA rev 0, Build 201008252227 (linux))
akel...@isb
 read in 0 1+, 45779 2+, 4366 3+, 0 4+, 0 5+, 0 6+, and 0 7+ spectra.
Initialising statistical models ...
Iterations: .........10.........20.........30.ERROR: NAN probability density
detected.  Please alert the developer !!!
ERROR: NAN probability density detected.  Please alert the developer !!!
ERROR: NAN probability density detected.  Please alert the developer !!!
ERROR: NAN probability density detected.  Please alert the developer !!!
ERROR: NAN probability density detected.  Please alert the developer !!!
ERROR: NAN probability density detected.  Please alert the developer !!!
ERROR: NAN probability density detected.  Please alert the developer !!!
ERROR: NAN probability density detected.  Please alert the developer !!!
ERROR: NAN probability density detected.  Please alert the developer !!!
ERROR: NAN probability density detected.  Please alert the developer !!!
ERROR: NAN probability density detected.  Please alert the developer !!!
ERROR: NAN probability density detected.  Please alert the developer !!!
ERROR: NAN probability density detected.  Please alert the developer !!!
ERROR: NAN probability density detected.  Please alert the developer !!!
ERROR: NAN probability density detected.  Please alert the developer !!!

does anyone has an idea what causes this?

many thanks in advance,
andreas

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