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 data, and PWIZ (as well as the TPP) includes various tools for exporting data to text files. Let's see what he has to say. -Natalie On Thu, Apr 16, 2009 at 8:49 AM, brennmat <[email protected]> wrote: > > 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 > > > > --~--~---------~--~----~------------~-------~--~----~ 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 -~----------~----~----~----~------~----~------~--~---
