1) a)Ofcourse one quick work around is to make a processing method that has rawfile.exe selected as a program to run. Then you can have this proc. meth. produce an excel (or whatever format) file of output. Note there is a whole slew of scriptable parameters that can be added.
b)C:\Xcalibur\system\programs\XRawfile OCX.doc p. 153-156 is what you want if you are going to go the activeX route. Looks like pwiz has this stuff covered but it may help end users to have access to it. 2) Believe 1)b should handle this but to some earlier points Thermo doesnt seem to update XDK all that often so this could be OOD. Later in the week I should be able to pull out our deprecated functions for you to use for this functionality. DD On Apr 20, 3:20 am, brennmat <[email protected]> wrote: > Thanks for this suggestion. I tried rawfile.exe from the XDK examples. > It does export the data from the ECD, but there are a few issues: > > 1. I'd like to call it from a batch script or from XCalibur to > automatically extract the data from the raw files without user > intervention. I don't know if/how this can be done. > > 2. The time values of the data exported to the ASCII file are > truncated. They contain only two digits 'after the comma'. This > results in a time resolution of about 0.6 seconds, which is not enough > because there are about three data points per second in my data files. > I do not know how to change this because I do not know VisualBasic. > > Matthias > > On Apr 17, 8:00 pm, DD <[email protected]> wrote: > > > > > Maybe give XChroDisplay in XDK. You could also call rawfile.exe in > > XDK which allows exporting of analog data. We did do this at one time > > (for LC data) so will ask group how. We stopped when we started using > > Promass (again for LC data) which also pulls this data. > > > On Apr 16, 11:49 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- Hide quoted text - > > - Show quoted text - --~--~---------~--~----~------------~-------~--~----~ 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 -~----------~----~----~----~------~----~------~--~---
