Thanks Matt! I'll look into this next week when I'm back at work. I don't have a Windoze machine at home.
Do you think the error I reported in my previous message is related to pwiz not (yet) knowing about the Analog Controller? Thanks again Matthias On Apr 17, 7:47 pm, Matthew Chambers <[email protected]> wrote: > Hi Matthias, > > I looked at an example file and supporting this in pwiz is > straightforward, but I don't have time to work on it today. If you want > to patch it in yourself, look at: > ChromatogramList_Thermo.cpp > There's two member functions of that class that will need updating, > createIndex() and chromatogram(). > > Look for the line "case 5: // generate "Total Scan" chromatogram for > entire run", which is the PDA case, which is another kind of detector > that Thermo instruments can use. The ECD chromatograms should be handled > very similarly. > > The ECD chromatogram is accessed through Controller_Analog and getting a > chromatogram from it would be like: > rawfile_->setCurrentController(Controller_Analog, 1); > auto_ptr<ChromatogramData> cd = rawfile_->getChromatogramData( > Type_TIC, Operator_None, Type_MassRange, > "", "", "", 0, > 0, rawfile_->rt(rawfile_->value(NumSpectra)), > Smoothing_None, 0); > The only thing that I'm not sure about is whether the NumSpectra > variable still applies when the ECD doesn't collect any spectra. In that > case, there'd have to be some other way to get the maximum retention time. > > Modifying pwiz should be much easier than trying to work with the raw XDK. > > -Matt > > Natalie Tasman wrote: > > Matthias, > > > I'm glad to hear that there's another enthusiatic developer interested > > in the Thermo converter. In readw, I suggest looking at the > > '#import'-ed Xrawfile2.dll header, which shows which COM calls are > > available. There is a .doc file in the SDK describing all of the > > calls. Unfortunately, it is sometimes incomplete and poorly documents > > some important calls. There are notes in the readw source code where > > we've encountered this. > > > Also, the thermo reader in the msconvert code does a nice job of > > writing C++ wrapper functions for the rawfile access, so that's > > another great place to start. > > > -Natalie > > > On Fri, Apr 17, 2009 at 3:10 AM, brennmat <[email protected] > > <mailto:[email protected]>> wrote: > > > On Apr 16, 6:29 pm, Natalie Tasman <[email protected] > > <mailto:[email protected]>> wrote: > > > Hi Mattias, > > > > To get started with Xcalibur, you might want to look at the > > "XDK" for > > > examples. > > > That's what I did. I looked at the HTML documentation and the > > examples. However, the HTML stuff does not give detailed information > > on the objects and datatypes available, and the code examples are in > > VisualBasic (I do not speak VisualBasic at all). > > > > But I do think it will be easier if you can just use and/or > > adapt existing > > > tools. > > > I agree, but it might still be fun and educational to get my hands > > dirty... > > > 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 -~----------~----~----~----~------~----~------~--~---
