[GSAS-II] GSAS-II Digest, Vol 345, Issue 3
Matthew Dunstan
m.t.dunstan at gmail.com
Tue Oct 18 01:03:42 CDT 2022
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On Mon, Oct 17, 2022 at 10:27 PM <gsas-ii-request at aps.anl.gov> wrote:
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> 1. Re: [Ext] Bruker brml files (Carlo Segre)
>
>
> ----------------------------------------------------------------------
>
> Message: 1
> Date: Mon, 17 Oct 2022 15:26:29 -0500
> From: Carlo Segre <segre at iit.edu>
> To: "Brown, Matthew" <matthew.brown at ubc.ca>
> Cc: "gsas-ii at aps.anl.gov" <gsas-ii at aps.anl.gov>
> Subject: Re: [GSAS-II] [Ext] Bruker brml files
> Message-ID:
> <
> CACz_CQcuZpBOM7-XWXqcy8Vrfak35UNs+5qB_G9u4N_Ffa03_Q at mail.gmail.com>
> Content-Type: text/plain; charset="utf-8"
>
> Yes, it is open source, I have attached it in case Brian or Bob are
> interested in it. At the moment it is written as a filter so I can convert
> a bunch of data at once.
>
> Carlo
>
> On Mon, Oct 17, 2022 at 3:22 PM Brown, Matthew <matthew.brown at ubc.ca>
> wrote:
>
> > Carlo
> >
> >
> >
> > I?d be happy to see your code, is it open-source? It would probably be
> > more useful to Bob though, to save him some time.
> >
> >
> >
> > 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
> >
> >
> >
> > *From:* Carlo Segre <segre at iit.edu>
> > *Sent:* Monday, October 17, 2022 1:19 PM
> > *To:* Brown, Matthew <matthew.brown at ubc.ca>
> > *Cc:* gsas-ii at aps.anl.gov
> > *Subject:* Re: [Ext] [GSAS-II] Bruker brml files
> >
> >
> >
> > [*CAUTION:* Non-UBC Email]
> >
> > 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
> >
> >
> >
> > _______________________________________________
> > GSAS-II mailing list
> > GSAS-II at aps.anl.gov
> > 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
> >
> > segre at iit.edu http://phys.iit.edu/~segre segre at debian.org
> >
> >
> >
>
>
> --
> 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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