Hi Matthew: I have written a python program that extracts a gsas file from the Bruker brml files. I am happy to share it. The brml file is simply a zip file with an XML folder with all the information about the experiment.
Carlo On Mon, Oct 17, 2022 at 1:18 PM Brown, Matthew via GSAS-II < [email protected]> wrote: > Salutations > > > > I hope I’m sending this to the right place. I was at the Canadian Powder > Diffraction Workshop last week, and noticed that GSAS-II doesn’t seem to > support *.brml files, what my Bruker PXRD saves as by default. That format > is just a zip file full of xml wearing a fancy hat, so it is quite easy to > parse; the python unzip library opens it perfectly. I’m actually doing so > for a project I’m working on.(1) > > > > If GSAS-II wanted to support *.brml files, I’d be glad to help: if someone > gave me a list of what GSAS-II needs to extract from the file, I could work > out where in the XML that is stored for you. I might even be able to write > up the extractor if you told me what output formats you, but I’m not the > world’s greatest programmer(2) so I’m not sure you’d want me directly > contributing code. > > > > 1. Since many of you know I’m very new to PXRD, don’t worry, I’m not > trying to do any actual calculations. I just got tired of looking up the > settings I’d run every experiment at in EVA each time, and worried that I > would make a typo and the user would report the wrong parameters in their > paper, so I wrote up a little python tool that extracts those numbers into > a format I can just copy and paste and send to the user. > 2. My script doesn’t even use an XML parser, I just brute force loop > over RawData0.xml using stuff like “elif line.startswith('<TimePerStep>'):” > > > > Let me know if me documenting any of this would be useful, and I hope I > can help, > > > > Dr. Matthew L. Brown (he/him, they/them) > > Lab Technician V (Chemistry, Crystallography) > > Office: 250-807-8365 | WD Lab (PXRD): x376665 > > > > UBC School of Engineering > > 1540 Innovation Dr. > > Kelowna, BC > > V1V 1V7 > > > _______________________________________________ > GSAS-II mailing list > [email protected] > https://mailman.aps.anl.gov/mailman/listinfo/gsas-ii > -- Carlo U. Segre (he/him) -- Duchossois Leadership Professor of Physics Professor of Materials Science & Engineering Director, Center for Synchrotron Radiation Research and Instrumentation Illinois Institute of Technology Voice: 312.567.3498 Fax: 312.567.3494 [email protected] http://phys.iit.edu/~segre [email protected]
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