Re: [spctools-discuss] Re: JRAP question

2013-01-30 Thread Matt Chambers
Hi David, -c is not a standard parameter. It is a filter that specifies centroiding instead of profile mode... thus your ReAdW DTA has peaks and your msconvert DTA has profile data points. But I also suggest that mzxml2search should have printed a warning (or did you ignore it?) because the

Re: [spctools-discuss] msconvert: wrong units of CID collision energy in RAW (Thermo) to mzML conversion

2012-12-17 Thread Matt Chambers
Moving to proteowizard-support. Yes this bug is still there. I didn't know about NCD. What is NCD a percent of? I.e. how can real electronvolts be calculated? Thanks for reporting, -Matt On 12/14/2012 5:43 PM, Dmitrii Tchekhovskoi wrote: Software: software id=pwiz version=3.0.3495 cvParam

Re: [spctools-discuss] Excluding every other scan? .raw -- .mzXML

2012-02-06 Thread Matt Chambers
Hi Chris, did you try the analyzer filter? Filtering one file on IT and the other on FT should do what you want with no hassle. -Matt On Feb 5, 2012 8:35 PM, Chris Rath chrisr...@gmail.com wrote: Hey everybody: I have a bunch of LTQ-FT data with alternating MS1 scans in the IT or FT cells. I

Re: [spctools-discuss] Re: ETD Search

2011-07-26 Thread Matt Chambers
The latest ProteinProspector performs as well as pfind if used properly. See the 2011 abrf iprg study on etd analysis. Does pfind write pepxml? -Matt On Jul 26, 2011 2:00 AM, Amit Yadav amit007thech...@gmail.com wrote: Thanks Kristian. I think you have summed up the situation well. I did use

Re: [spctools-discuss] mzWiff with Analyst 1.3

2011-07-13 Thread Matt Chambers
The compatability problems are usually between the version the file was acquired with and the version of Analyst you have installed. Older versions of mzwiff aren't likely to fix the problem afaik. However you can use msconvert or, if you need peak picking (better than analyst), use absciex's

[spctools-discuss] How to make X! Tandem respect input charge state?

2010-12-13 Thread Matt Chambers
Is there a way to make X! Tandem respect charge state(s) specified in an MGF file? I haven't tried mzXML/mzML (this is the TPP version) yet, would it work for those formats? -Matt -- You received this message because you are subscribed to the Google Groups spctools-discuss group. To post to

Re: [spctools-discuss] How to make X! Tandem respect input charge state?

2010-12-13 Thread Matt Chambers
= - but that gets lost along the way? Or does your MGF possibly describe charge in another fashion? I have the impression there are variants. Brian On Mon, Dec 13, 2010 at 9:09 AM, Matt Chambers matt.chamber...@gmail.com wrote: Is there a way to make X! Tandem respect charge state(s) specified

Re: [spctools-discuss] Interpreting SpectraST *.sptxt files

2010-11-26 Thread Matt Chambers
I'm pretty sure it indicates m/z error of the matched peak with the theoretical m/z. I'm not sure what the ^3 means though. -Matt On 11/25/2010 9:32 PM, GATTACA wrote: Hello. Can someone explain to me the syntax in of the peaklists as they are reported in the SpectraST *.sptxt file? I

Re: [spctools-discuss] Myrimatch searching .cfg file issue...

2010-11-23 Thread Matt Chambers
For an orbi/ltq run, myrimatch.cfg might look like: PrecursorMzTolerance = 10 PrecursorMzToleranceUnits = ppm FragmentMzTolerance = 0.5 FragmentMzToleranceUnits = daltons ProteinDatabase = c:\foo\bar.fasta NumMinTerminiCleavages = 1 CleavageRules = trypsin/p DynamicMods = M * 15.9949 C * 57.0215

Re: [spctools-discuss] Re: can not convert mzML from raw file

2010-11-08 Thread Matt Chambers
Did you extract ALL the files from the pwiz-bin package to the same directory? -Matt On 11/5/2010 8:40 PM, tgreco wrote: I was having same problem with msconvert as described above (on windows 7 64-bit). I installed MSfilereader and newest Proteowizard package (to tpp-bin) as suggested. But

Re: [spctools-discuss] Re: how to extract acquisition time/date stamp from .mzXML files?

2010-07-13 Thread Matt Chambers
What is the purpose of the msRun startTime attribute? It's an xsd:duration type so using it to store a point in time seems odd. But the documentation The time at which the run was started. clearly seems to refer to a point in time. Andrew, a straightforward compromise here is to use msconvert

Re: [spctools-discuss] how to convert Agilent ETD trap data to XML?

2010-02-11 Thread Matt Chambers
As Natalie suggested, Analysis.yep indicates the Bruker/Agilent YEP format which ProteoWizard reads with CompassXtract. Msconvert will automatically detect the format of the .d directory and use the appropriate reader. Keep in mind the CompassXtract interface (which supports Bruker FID/BAF and

Re: [spctools-discuss] Re: OMSSA files with PeptideProphet

2009-11-24 Thread Matt Chambers
It's not in the online command-line manual, but it's in the usage statement for omssacl: G:\work\omssa\omssa-2.1.7.win32omssacl USAGE omssacl.exe [-h] [-help] [-xmlhelp] [-pm param] [-d blastdb] [-umm] [-f infile] [-fx xmlinfile] [-fb dtainfile] [-fp pklinfile] [-fm pklinfile] [-foms

[spctools-discuss] Re: MzXML2Search problem (Agilent msconvert-ed data)

2009-11-17 Thread Matt Chambers
starting at 1, whilst msconvert uses the Agilent scan ID (can be a very large number). MzXML2Search conversion of the resulting file into mgf then fails once it reaches a scan ID 99,999. Have seen similar problems with other programs and contacted Matt Chambers who said that the numbering

[spctools-discuss] Re: ReadW and Orbitrap Exactive output files

2009-11-15 Thread Matt Chambers
Hi Andris, ReAdW gets the ms level and polarity from the filter line, but in this case it doesn't know how to deal with the filter line so it seems to be silently aborting the filter parser. The extra coding and hassle should happen to the parser code instead of your own code (IMO). But in

[spctools-discuss] Re: from mzML to mzXML

2009-11-09 Thread Matt Chambers
Try a later release of pwiz. I know that's the one that the web page points to as the default, we're working on a way to improve that. Silvia Rocchiccioli wrote: Hi Matt, thank you. I have tried to use ProteoWizard..., I can create the mzXML file starting from mzML but when I try to

[spctools-discuss] Re: problem converting with trapper 4.3.1 on windows vista 64bit

2009-10-06 Thread Matt Chambers
Probably you didn't pass it a valid Agilent path. The source file is actually a directory (ends in .d). But the data is stored inside files of course as MSPeak.bin or MSProfile.bin. IIRC you can pass it any of those three (the .d directory, or the .bin files). Also, a MassHunter installation

[spctools-discuss] Re: mzwiff problem - some lines with AAAAAAAAAAA

2009-09-25 Thread Matt Chambers
Msconvert should enumerate all the non-SRM and non-SIM spectra. Due to performance issues of the API, it enumerates cycles first, then experiments, then periods. For example: sample=1 period=0 cycle=123 experiment=1 sample=1 period=0 cycle=124 experiment=1 sample=1 period=0 cycle=125

[spctools-discuss] Re: peak pick MS2

2009-09-24 Thread Matt Chambers
Hi Ben, 50gb for one file? That's impressive. That could be much improved with compression (which the Agilent MH format also does), but since you need to peak pick the MSn to identify them in most search engines, try this command: msconvert source.d --mzXML --filter peakPicking true [2,2]

[spctools-discuss] Re: QTOF Premier SILAC data - MassWolf vs PKL

2009-09-14 Thread Matt Chambers
It usually comes down to spectrum processing - specifically scan combination, deisotoping, and centroiding. MassWolf and msconvert are unlikely to be able to do as well as the vendor's own processing without significant effort devoted toward optimizing on that platform. I'll take a look at

[spctools-discuss] Re: mzwiff problem - some lines with AAAAAAAAAAA

2009-09-10 Thread Matt Chambers
Were all the wiff files acquired with the same version of Analyst? If not, that's probably the issue. I recommend trying msconvert which reads WIFFs with a different API from mzWiff: instead of depending on the myriad of different Analyst versions, it uses the unified DLLs from Protein Pilot

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

2009-02-23 Thread Matt Chambers
Natalie, the link I sent explains what a precursor ion scan is. A data-dependent scan is a kind of product ion scan. A precursor ion scan is quite different and can't even be represented in mzXML as far as I know. -Matt Natalie Tasman wrote: Hi Ronny, I now see that you meant precursor

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

2009-02-23 Thread Matt Chambers
, 2009 at 1:38 PM, Matt Chambers matthew.chamb...@vanderbilt.edu mailto:matthew.chamb...@vanderbilt.edu wrote: Natalie, the link I sent explains what a precursor ion scan is. A data-dependent scan is a kind of product ion scan. A precursor ion scan is quite different

[spctools-discuss] Re: Qualscore

2008-11-21 Thread Matt Chambers
I haven't followed the rest of this thread, but msconvert can convert MGF to mzML or mzXML. It's pretty much impossible to match up the scan numbers though without knowing exactly how to parse the TITLE attribute (if it's even available!). -Matt marpello wrote: Hi, I tried to use -p0, but