[GSAS-II] [Ext] Bruker brml files

[Carlo Segre]

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 <
gsas-ii at aps.anl.gov> 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
>
>
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-- 
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
segre at iit.edu   http://phys.iit.edu/~segre   segre at debian.org
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