[spctools-discuss] Re: Reg:TPP combatibility with Shimadzu MALDI-TOF-TOF data

2009-02-17 Thread David Shteynberg
Thank you for this interesting discussion. My original point was to say that data collected on the same type of instrument and searched against the same database with the same parameters can be analyzed together in PeptideProphet. I accept your point that in the case of the additional models tha

[spctools-discuss] Re: Reg:TPP combatibility with Shimadzu MALDI-TOF-TOF data

2009-02-17 Thread mnotes
I disagree that "finding is that these datasets are not truly independent because as you note if they were truly independent datasets the probabilities would not change. Different datasets that are collected on the same instrument (or same type of instrument) already "interact" with each other in

[spctools-discuss] Re: Reg:TPP combatibility with Shimadzu MALDI-TOF-TOF data

2009-02-17 Thread David Shteynberg
I don't agree that any hidden links are introduced, rather some incorrect assumptions are exposed. When datasets are analyzed together this is very explicit. When you are expecting that these datasets should be independent but you are finding that you get different results when you are analyzing

[spctools-discuss] Re: Reg:TPP combatibility with Shimadzu MALDI-TOF-TOF data

2009-02-17 Thread mnotes
For two independent experimental data probability of particular scan to match particular peptide should not depend on data in second independent experiment that is why they are independent experiments. With PeptideProphet when you combine two data sets in interact.xml and process them together you

[spctools-discuss]

2009-02-17 Thread Ruddat, Viola (GE Healthcare)
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[spctools-discuss] Re: Reg:TPP combatibility with Shimadzu MALDI-TOF-TOF data

2009-02-17 Thread David Shteynberg
PeptideProphet compute a probability that a PSM is correct GIVEN the data. So I am not sure I understand what you mean exactly when you say that this is "mathematically wrong". It is not correct to compare probabilities on the same spectrum between different runs of PeptideProphet when you give

[spctools-discuss] Re: Reg:TPP combatibility with Shimadzu MALDI-TOF-TOF data

2009-02-17 Thread mnotes
Good advise David: But,combining data from several independent analysis of similar samples does not save the day. In fact one "bad" (from point of view of PeptideProphet) msms-run can spoil the rest of data. And, in fact it does. It does not sound right to me when estimation of peptides probabil

[spctools-discuss] Re: Reg:TPP combatibility with Shimadzu MALDI-TOF-TOF data

2009-02-17 Thread David Shteynberg
Hello Anand and Sergey, Negative values are placeholders to identify potentially correct PSMs when there is too little data, insufficient separation between positive and negative distributions in the model, or non-bimodal search results (often a result of bad search parameters missing static mod.

[spctools-discuss] Re: Reg:TPP combatibility with Shimadzu MALDI-TOF-TOF data

2009-02-17 Thread Natalie Tasman
Hi Sergey, Thanks for the explanation of your correspondence. It is definitely true that the TPP could use additional documention. However, as you know, we are a small group of developers and we try to support the community as best as we can. Pragmatically we encourage our users to refer to th

[spctools-discuss] Re: Reg:TPP combatibility with Shimadzu MALDI-TOF-TOF data

2009-02-17 Thread mnotes
Dear Natalie: >From personal communication of Anand to me : "But after MSMS file for single protein fragment peak I could neither get the models but an error saying no data quitting that happens at the protein prophet level.After the peptide prophet probabilities are observed on few occasions to

[spctools-discuss] Re: How to convert mzXML file to mgf file

2009-02-17 Thread Bright
I have solved it. The prgram mzXML2Search have been installed follow by TPP installed. Thank your very much for your kind. Bright On 2月17日, 上午2时13分, Matthew Chambers wrote: > It depends what you want to use the MGF for. I think the TPP pipeline > for the near future should continue using mxXML2

[spctools-discuss] Re: where to download mzXML2Search?

2009-02-17 Thread Natalie Tasman
Hello, This program is part of the standard TPP installation. It should be in C:\Inetput\tpp-bin, after a successful installation. Natalie On Mon, Feb 16, 2009 at 8:01 AM, Bright wrote: > > Could someone direct me to where to download where to download > mzXML2Search? > I can't seem to find

[spctools-discuss] Re: error on tpp install

2009-02-17 Thread Natalie Tasman
Strange. What does perl -v report? It sounds like it may be a corrupted install. Perhaps you could try rebooting, temporarily and safely disable any active antivirus/security software, and try reinstalling? Best, Natalie On Mon, Feb 16, 2009 at 1:38 PM, tom.b...@gmail.com wrote: > > I insta

[spctools-discuss] Re: install issues

2009-02-17 Thread Natalie Tasman
Hi Kris, No one has been able to solve your specific program because no one has tried the exact setup that you have, which is trying to run Thermo's Proteomics Browser Suite, requiring the TPP to use the unsupported IIS webserver. As you've found, the TPP can work with IIS, but we're not able to

[spctools-discuss] Re: Reg:TPP combatibility with Shimadzu MALDI-TOF-TOF data

2009-02-17 Thread Natalie Tasman
Hello Arand, You'll need to start by converting the Shimadzu-specific instrument files to mzXML or mzML files in order to use the TPP tools. The SPC/TPP tools do not support this directly, but someone posted to our list mentioning the Mass++ program which is advertised to do this: http://groups

[spctools-discuss] Re: How to convert mzXML file to mgf file

2009-02-17 Thread Bright
I have solved it. The prgram mzXML2Search have been installed follow by TPP installed. Thank your very much for your kind. Bright On 2月17日, 下午10时04分, Matt Chambers wrote: > Do you mean mzXML2Search instead of Mascot2XML? I agree that spectrum > averaging should be a more universal feature; it's

[spctools-discuss] Re: How to convert mzXML file to mgf file

2009-02-17 Thread Bright
I have solved it. The prgram mzXML2Search have been installed follow by TPP installed. Thank your very much for your kind. Bright On 2月17日, 下午7时33分, Bill Nelson wrote: > We were never able to switch one of our labs over to TPP because they > use ABI Q-TOF with Mascot and the Mascot daemon prod

[spctools-discuss] mzWiff for multiple precursor ion scan data

2009-02-17 Thread Ronny
Dear mzWiff developers, I would like to ask if there will be a feature someday in mzWiff to merge the single precursor scan files, which are output as *.mzXML when inputting a multiple precursor ion scan *.wiff file, into one *.mzXML file. Or maybe, I just didn't find the right option? regards,

[spctools-discuss] Re: How to convert mzXML file to mgf file

2009-02-17 Thread Bright
I have solved it. The prgram mzXML2Search have been installed follow by TPP installed. Thank your very much for your kind. Bright On 2月17日, 上午1时52分, "Brian Pratt" wrote: > The msconvert tool should handle that: > > To convert foo.mzxml to foo.mgf > > msconvert --mgf foo.mzxml > > > > -Origi

[spctools-discuss] Re: Reg:TPP combatibility with Shimadzu MALDI-TOF-TOF data

2009-02-17 Thread mnotes
Dear Anand PeptideProphet is unable to estimate peptide probabilities in your case and it will never will be able to do so no matter what you do. It is a limitation/bug of PeptideProphet algorithm as far as I can tell. But I wonder what kind of response, if any, you will get from folks from Instit

[spctools-discuss] where to download mzXML2Search?

2009-02-17 Thread Bright
Could someone direct me to where to download where to download mzXML2Search? I can't seem to find one . Thanks -Bright --~--~-~--~~~---~--~~ You received this message because you are subscribed to the Google Groups "spctools-discuss" group. To post to this group

[spctools-discuss] Re: How to convert mzXML file to mgf file

2009-02-17 Thread Matt Chambers
Do you mean mzXML2Search instead of Mascot2XML? I agree that spectrum averaging should be a more universal feature; it's something I plan to put in msconvert but haven't gotten around to yet. What range of settings did you try for spectrum averaging in mzWiff? -Matt Bill Nelson wrote: > We w

[spctools-discuss] Reg:TPP combatibility with Shimadzu MALDI-TOF-TOF data

2009-02-17 Thread Research_anand
Hi all , I have been trying to upload and analyze a single protein MSMS CID data retrieved from shimadzu instrument and I am unable to run the pipeline.The pipeline fails at the protein prophet level and cites error message "No data quitting". I tried also converting mzXML files to dta as well as

[spctools-discuss] Re: How to convert mzXML file to mgf file

2009-02-17 Thread Bill Nelson
We were never able to switch one of our labs over to TPP because they use ABI Q-TOF with Mascot and the Mascot daemon produced an MGF file that searched much better that the MGF file produced by mzWiff & Mascot2XML. Through postings on this forum we learned that the better performance (about 20%

[spctools-discuss] error on tpp install

2009-02-17 Thread tom.b...@gmail.com
I install active state perl. That seems to go well, perl is in my path and perl -v gives a message Then I run TPP_setup_v4_1_jetstream_rev_1 goes well till it looks for perl then shows an error running c:/Inetpub/tpp-bin/which.exe also gives an error, no message just the MS crash reporter Any