Hi Andreas,

This seems to be caused by the PI model.  If you can upload the file
that caused the error I can troubleshoot it.  Otherwise, please just
disable the PI model for this analysis for now.

-David

On Wed, Sep 8, 2010 at 3:22 PM, Andreas Quandt <[email protected]> wrote:
> 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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