[spctools-discuss] Malformed XML generated by Peptide Prophet

2010-04-15 Thread Simon Michnowicz
Dear Group,
I am running a Peptide Prophet search but xinteract breaks. The error
message is :
Syntax error parsing XML.not well-formed (invalid token)

The offending line (in a peptide-xml file) is

alternative_protein protein=tr|Q78E99|MRXRgamma
protein_descr=homolog protein (Fragment)  Tax_Id=10118 [Rattus sp]
num_tol_term=2 peptide_prev_aa=K peptide_next_aa=D/

Should the gamma entry should be ltgammagt ??
Is there an easy fix to this problem?
Thanks
Simon Michnowicz

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Re: [spctools-discuss] Re: How to use ASAPRatio to do SILAC quantification from Spectrum Mill Identifications or the latest X!Tandem?

2010-04-15 Thread Guoqiang Xu
Hi DT,

Thank you very much for the great suggestion.

I have not tried OMSSA too much. I will try to use these two software
and ASAPRatio for the quantification.

By the way, do you have any publications which described the way you
did the quantification?

As for Mascot, recently, I kind of detected much less peptides as
other search programs. Is this a general result or data-dependent
issue?

Best regards,

John


On Wed, Apr 14, 2010 at 4:23 AM, dctrud dct...@ccmp.ox.ac.uk wrote:
 John,

 The TPP doesn't support the analysis of Spectrum Mill results.
 SEQUEST, Mascot, X!Tandem (native/k-score), ProbID, SpectraST, Phenyx,
 OMSSA, MyriMatch, Inspect, and YABSE are all possibilities though.

 To use Mascot you can try converting the mzXML files to MGF for Mascot
 using the TPPs MzXML2Search tool and specifying a value for the -I
 parameter, which filters out peaks lower than a set intensity. For
 example:

 MzXML2Search -mgf -I20 my.mzXML

 ... will generate an mgf file from my.mzXML which exclude peaks with
 an intensity less than 20. This will dramatically reduce the size of
 the mgf file since QTOF data tends to include a lot of very low
 intensity noise peaks. The value you use for the cut-off depends on
 the instrument. Set it to something that looks reasonable for getting
 rid of the lowest level noise, but not useful signal. For our Agilent
 6520 (ADC based) we use 20, for a Waters QTOF (TDC based) we use 3.

 A caveat is that direct mzXML to MGF to Mascot doesn't give great
 results in our hands with data from the 6520 QTOF. Mascot benefits a
 lot from the spectrum processing (such as de-isotoping) that is
 performed when exporting an MGF from MassHunter (or indeed Mascot
 Distiller). On the other hand, OMSSA and X!Tandem (native scoring)
 work extremely well for us with spectra from the mzXML. We routinely
 analyse 6520 data using OMSSA + X!Tandem native, with iProphet to
 combine the results, and use ASAPRatio successfully for quantitation.

 DT


 On Apr 13, 9:13 pm, John gux2...@gmail.com wrote:
 I want to use ASAPRatio incorporated in TPP suite. However, we do not
 have Sequest and Our Mascot currently cannot read the XML files
 generated by TPP because of the huge size of mzXML file after
 converting Agilent Q-TOF data (.d) to mzXML file.

 I am trying to use X!Tandem in TPP suite to do database search.
 However, I noticed that the X!Tandem incorporated in TPP is an old
 version. Can I incorporate the latest X!Tandem in TPP?

 Can I use the latest X!Tandem to do the database searching and output
 the data into a format that TPP can read for further SILAC
 quantification?

 How Can I convert Spectrum Mill search result to the format TPP can
 read and to perform SILAC quantification?

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Mobile: 607-351-8481

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Re: [spctools-discuss] Malformed XML generated by Peptide Prophet

2010-04-15 Thread Brian Pratt
The defect is really somewhere upstream - whatever created the pepxml files
that went into xinteract should have escaped those characters.

On Wed, Apr 14, 2010 at 11:25 PM, Simon Michnowicz 
simon.michnow...@gmail.com wrote:

 Dear Group,
 I am running a Peptide Prophet search but xinteract breaks. The error
 message is :
 Syntax error parsing XML.not well-formed (invalid token)

 The offending line (in a peptide-xml file) is

 alternative_protein protein=tr|Q78E99|MRXRgamma
 protein_descr=homolog protein (Fragment)  Tax_Id=10118 [Rattus sp]
 num_tol_term=2 peptide_prev_aa=K peptide_next_aa=D/

 Should the gamma entry should be ltgammagt ??
 Is there an easy fix to this problem?
 Thanks
 Simon Michnowicz

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[spctools-discuss] Re: Malformed XML generated by Peptide Prophet

2010-04-15 Thread Simon Michnowicz
Brian,
the pepXML was created using Mascot2XML. The pepXML file that was
input to xinteract does not contain the entry
tr|Q78E99|MRXRgamma

My understanding is that xinteract opens the database mentioned in the
pepXML file to extract information.


Regards
Simon Michnowicz



On Apr 16, 1:09 am, Brian Pratt brian.pr...@insilicos.com wrote:
 The defect is really somewhere upstream - whatever created the pepxml files
 that went into xinteract should have escaped those characters.

 On Wed, Apr 14, 2010 at 11:25 PM, Simon Michnowicz 



 simon.michnow...@gmail.com wrote:
  Dear Group,
  I am running a Peptide Prophet search but xinteract breaks. The error
  message is :
  Syntax error parsing XML.not well-formed (invalid token)

  The offending line (in a peptide-xml file) is

  alternative_protein protein=tr|Q78E99|MRXRgamma
  protein_descr=homolog protein (Fragment)  Tax_Id=10118 [Rattus sp]
  num_tol_term=2 peptide_prev_aa=K peptide_next_aa=D/

  Should the gamma entry should be ltgammagt ??
  Is there an easy fix to this problem?
  Thanks
  Simon Michnowicz

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