On Apr 17, 2009, at 9:29 AM, spctools-discuss group wrote: > Date: Thurs, Apr 16 2009 8:49 am > From: 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 files contain data from a > GC/MS system which has both an MS and an ECD (electron capture > detector; note that the data from the ECD does not contain massess, > only signal intensity as a function of time). > > I can think of two ways to achieve this: > > 1. There is already a tool available that does what I need. This might > be a converter that converts the XCalibur *.raw into a file that is > readable by Matlab or Octave. Remember that I not only need the MS > data, but also the ECD data which does not have any mass information. > Otherwise I could use XCalibur/xconvert or ReAdW, which export to ANDI > or mzXML. Is there a converter which also processes 'massless' > chromatograms? > > 2. I might try to write some code in C/C++ that does what I need. This > might be either a standalone program or a MEX or OCT binary that runs > from within Matlab or Octave. In both cases I'd need some help to get > me started on how to use the XCalibur DLL stuff in C/C++. I have never > worked with C/C++ on Microsoft Windows and I've got no clue how to > work with DLLs. Any pointers or code examples would be greatly > appreciated. > > I'd be very grateful for any hints, comments and suggestions. > > > Thanks > Matthias
Dear all This is an old thread, but I wanted to let the world know that I've found a solution. Matt Chambers did a great job in extending the ProteoWizard tools with support for the ECD sensor (THANKS Matt!!!!). I am now using msconvert (one of the ProteoWizard tools) to convert the Xcalibur RAW file to an mzML file. I then load the data from the mzML file into Octave (or Matlab). Just in case my Octave/Matlab files might be useful to someone else I published them on soureforge.net: http://sourceforge.net/projects/matchromat svn co https://matchromat.svn.sourceforge.net/svnroot/matchromat matchromat Matthias --~--~---------~--~----~------------~-------~--~----~ You received this message because you are subscribed to the Google Groups "spctools-discuss" group. To post to this group, send email to [email protected] To unsubscribe from this group, send email to [email protected] For more options, visit this group at http://groups.google.com/group/spctools-discuss?hl=en -~----------~----~----~----~------~----~------~--~---
