Unsubscribe On Mon, Oct 17, 2022 at 10:27 PM <[email protected]> wrote:
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Re: [Ext] Bruker brml files (Carlo Segre) > > > ---------------------------------------------------------------------- > > Message: 1 > Date: Mon, 17 Oct 2022 15:26:29 -0500 > From: Carlo Segre <[email protected]> > To: "Brown, Matthew" <[email protected]> > Cc: "[email protected]" <[email protected]> > Subject: Re: [GSAS-II] [Ext] Bruker brml files > Message-ID: > < > cacz_cqcuzpbom7-xwxqcy8vrfak35uns+5qb_g9u4n_ffa0...@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 <[email protected]> > 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 <[email protected]> > > *Sent:* Monday, October 17, 2022 1:19 PM > > *To:* Brown, Matthew <[email protected]> > > *Cc:* [email protected] > > *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 < > > [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] > > > > > > > > > -- > 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] > -------------- next part -------------- > An HTML attachment was scrubbed... > URL: < > http://mailman.aps.anl.gov/pipermail/gsas-ii/attachments/20221017/7ca2779f/attachment.html > > > -------------- next part -------------- > A non-text attachment was scrubbed... > Name: brml2gsas.py > Type: text/x-python > Size: 3915 bytes > Desc: not available > URL: < > http://mailman.aps.anl.gov/pipermail/gsas-ii/attachments/20221017/7ca2779f/attachment.py > > > > ------------------------------ > > Subject: Digest Footer > > _______________________________________________ > GSAS-II mailing list > [email protected] > https://mailman.aps.anl.gov/mailman/listinfo/gsas-ii > > ------------------------------ > > End of GSAS-II Digest, Vol 345, Issue 3 > *************************************** >
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