[spctools-discuss] problem to removing spectra from mzXML and to use indexmzXML afterwards

2010-03-23 Thread Andreas Quandt
dear list, i modified some of my mzXML files by removing ms2 spectra which did not fulfill certain criteria. afterwards i tried to analyze them via xtandem but got error messages like might be a corrupted file. to overcome this problem i used indexmzXML which corrected the index by generating a

Re: [spctools-discuss] problem to removing spectra from mzXML and to use indexmzXML afterwards

2010-03-23 Thread Luis Mendoza
Hi Andreas, You may need to re-number the indices so that the scans start at 1 have no gaps between subsequent ones, as well as adjust the total scan count in the header of the file. Then apply the re-indexing. Hope this helps, --Luis On Tue, Mar 23, 2010 at 9:46 AM, Andreas Quandt

Re: [spctools-discuss] problem to removing spectra from mzXML and to use indexmzXML afterwards

2010-03-23 Thread Andreas Quandt
hey luis, nice to hear from you and many thanks for your fast answer! unfortunately this does not do the trick :-( i renumbered the scans starting from 1 (for ms1 and ms2 in ascending order), ran indexmzXML on the file (successfully) and tried 'MzXML2Search -mgf' afterwards. and then

Re: [spctools-discuss] problem to removing spectra from mzXML and to use indexmzXML afterwards

2010-03-23 Thread Brian Pratt
Does the file pass general XML validation? That is, did you possibly damage it structurally? It's hard to discuss these things without looking at the actual file, can you upload to the group's files area? Brian On Tue, Mar 23, 2010 at 1:20 PM, Andreas Quandt quandt.andr...@gmail.comwrote:

Re: [spctools-discuss] problem to removing spectra from mzXML and to use indexmzXML afterwards

2010-03-23 Thread Andreas Quandt
hey brian, nice to hear from you too and also thanks for picking up on this :-) according to xmlwf the modified.mzXML is valid. i uploaded both, original.mzXML and modified.mzXML to ftp.systemsbiology.net/incoming. it would be great if you guys could spare some time to help me with this as i am

Re: [spctools-discuss] problem to removing spectra from mzXML and to use indexmzXML afterwards

2010-03-23 Thread Jimmy Eng
Andreas, I don't believe Brian or any other helpful external person can access the files when you place it in ISB's ftp site. Anyways, the ramp parser is frail and finicky and expects an mzXML to be formatted just the way it expects. Your modified mzXML has a lot of formatting changes. The

Re: [spctools-discuss] problem to removing spectra from mzXML and to use indexmzXML afterwards

2010-03-23 Thread Jimmy Eng
Andreas, When I modified your file get rid of all whitespace between the peaks tags, the MzXML2Search program subsequently ran fine. change: peaks precision=32 byteOrder=network pairOrder=m/z-int Q0BLmUBez4BDSRBhQQDRN0NN...w== /peaks to: peaks precision=32