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 RAW files with PDA spectra, but in the absence of test data it's difficult to develop for the other controller types. I'm not even sure which controller would be used for ECD data. Is that using the ADC controller?
-Matt brennmat 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 -~----------~----~----~----~------~----~------~--~---
