[GSAS-II] Bruker brml files

[Brown, Matthew]

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

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