[spctools-discuss] Re: TPP and metabolic labeling

2009-04-16 Thread Samy
Hi, I'm performing TPP analysis for my 14N/15N metabolic labeling experiments and have some questions regarding the data processing steps: The raw data were searched one time with the normal 14N masses, and once with the 15N enriched amino acids set as fixed modification by Sequest in the

[spctools-discuss] Converting from XCalibur *.raw

2009-04-16 Thread brennmat
Dear all I am an absolute newbie and I am not sure if I came to the right place... well, here's my question: I am looking for a tool that extracts chromatogram data from XCalibur *.raw files and converts them into a format that is readable by other software (e.g. Matlab or Octave). My *.raw

[spctools-discuss] Re: TPP and metabolic labeling

2009-04-16 Thread schlesne
Hi Jimmy, thanks for the quick reply. 1.) Is it possible to use 13C labeling with either XPress or ASAPRatio? I've found only options for 15N, so is there any chance to process 13C-labeled samples? You can't analyze 13C labeling now with Xpress.  I don't see 13C (nor 15N) support

[spctools-discuss] Re: Converting from XCalibur *.raw

2009-04-16 Thread Matthew Chambers
ProteoWizard's msconvert will almost work for this. If you give me an example RAW file I can fix it up rather quickly. ReAdW isn't close to being able to support this, not least because mzXML doesn't support chromatograms (and it's also entirely about mass spectra). I have tested msconvert on

[spctools-discuss] Re: Converting from XCalibur *.raw

2009-04-16 Thread Brian Pratt
The great thing about TPP, of course, is that it's open source. So, you've already got source code and MSVC build files for readw, which shows you exactly how to use the Thermo DLLs. After that, well, Google is your friend! Begin here: https://sashimi.svn.sourceforge.net/svnroot/sashimi/trunk

[spctools-discuss] Re: Converting from XCalibur *.raw

2009-04-16 Thread Natalie Tasman
Hi Mattias, To get started with Xcalibur, you might want to look at the XDK for examples. But I do think it will be easier if you can just use and/or adapt existing tools. I know that Matt from the ProteoWizard (PWIZ) project (including in the TPP) has been interested in parsing chromatogram

[spctools-discuss] Re: Converting from XCalibur *.raw

2009-04-16 Thread Christopher Mason
Hi Matthias, [Looks like some other folks might be able to help you out directly; take the below with a grain of salt] Most of the folks here work with LC not GC MS. However, the existing software for extracting LCMS data should at least get you started towards your own. I would start with

[spctools-discuss] Re: TPP and metabolic labeling

2009-04-16 Thread Jimmy Eng
Mattias, I just checked in the Xpress changes to trunk (revision 4331). Give it a shot and let me know if there's any problems. There was mention of 15N support in ASAPRatio in the 4.2 announcement. After doing more snooping, the following check-in added support for initializing AA masses

[spctools-discuss] Re: Question about Qualscore

2009-04-16 Thread Ping
Luis, I finally got my PepXMLViewer working. I opened the file, and there is no entries with exact zero probability. But there are tons of entries with ~0.05 probability. Does that matter? Or QualScore only considers that zero probability as bad spectra? The data is LTQ data, and first is

[spctools-discuss] Re: Question about Qualscore

2009-04-16 Thread Luis Mendoza
Hello Ping, Yes, please make sure you run xinteract with the -p0 (zero, not O) option. QualScore uses those to model the bad spectra. --Luis On Thu, Apr 16, 2009 at 10:43 AM, Ping yanpp...@gmail.com wrote: Luis, I finally got my PepXMLViewer working. I opened the file, and there is no

[spctools-discuss] Re: Interested in cloud computing models

2009-04-16 Thread Lekpor, Kossi
Hi Angel, I have setup some proteomics tools running on parallel on a Linux cluster here at the Beckman Research Institute of City of Hope Medical Centre. I am not sure what you are looking for exactly: student, postdocs, collaboration or consultation. But if there is anything I can do to help,

[spctools-discuss] Limit on number of pep.xml files that can be analyzed with XInteract?

2009-04-16 Thread Kristian
I'm using TPP 4.2.0 to analyze cleavable ICAT data from an LCQ. When all replicates are done, I have 120 seperate .pep.xml files to combine and analyze. With earlier versions of TPP (i.e. 3.4) I could analyze them all at once with Xinteract, but with 4.2 the operation simply aborts and fails

[spctools-discuss] Save subset of pepXML to a file

2009-04-16 Thread Oded
Hi, Long time ago there was an option to save a subset of a pepXML (for example only peptides with ratio 2) to a new pepXML file through the GUI but I haven't seen it for a while. Is it still possible to it with the latest TPP though the GUI (or by using the command line somehow). Thanks for any

[spctools-discuss] Re: Limit on number of pep.xml files that can be analyzed with XInteract?

2009-04-16 Thread Brian Pratt
There's not meant to be a limitation - can you give an example of a command line that fails? -Original Message- From: spctools-discuss@googlegroups.com [mailto:spctools-disc...@googlegroups.com] On Behalf Of Kristian Sent: Thursday, April 16, 2009 11:56 AM To: spctools-discuss Subject:

[spctools-discuss] Re: Save subset of pepXML to a file

2009-04-16 Thread Natalie Tasman
Hi Oded, You are correct; this was a feature with a very old version of the pepXML display that isn't currently active. The current viewer is strictly read-only, so far. This hasn't been a very high priority so far as xinteract and the prophets do the most common filtering (probabilities), but

[spctools-discuss] Re: Limit on number of pep.xml files that can be analyzed with XInteract?

2009-04-16 Thread Natalie Tasman
Hi Kristian, Also, 4.2.1 contained many bug fixes. I'm not sure if this would have been addressed, but it's always most efficient for us if you can try to replicate the issue on the latest version. -Natalie On Thu, Apr 16, 2009 at 12:42 PM, Christine Vogel vogel@gmail.comwrote: I have

[spctools-discuss] Re: Question about Qualscore

2009-04-16 Thread Ping
Luis, Thanks a lot! I just realize that the xml file from TPP output is already run through PeptideProphet with 0.05 cutoff. I will try to rerun the xtandem along to see how it works. Best, Ping On Apr 16, 11:52 am, Luis Mendoza lmend...@systemsbiology.org wrote: Hello Ping, Yes, please