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<p class="MsoNormal"><span style="font-family:"Book Antiqua",serif;mso-fareast-language:EN-US">Carlo<o:p></o:p></span></p>
<p class="MsoNormal"><span style="font-family:"Book Antiqua",serif;mso-fareast-language:EN-US"><o:p> </o:p></span></p>
<p class="MsoNormal"><span style="font-family:"Book Antiqua",serif;mso-fareast-language:EN-US">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.<o:p></o:p></span></p>
<p class="MsoNormal"><span style="font-family:"Book Antiqua",serif;mso-fareast-language:EN-US"><o:p> </o:p></span></p>
<p class="MsoNormal"><span lang="EN-US" style="font-family:"Book Antiqua",serif">Dr. Matthew L. Brown (he/him, they/them)<o:p></o:p></span></p>
<p class="MsoNormal"><span lang="EN-US" style="font-family:"Book Antiqua",serif">Lab Technician V (Chemistry, Crystallography)<o:p></o:p></span></p>
<p class="MsoNormal"><span lang="EN-US" style="font-family:"Book Antiqua",serif">Office: 250-807-8365 | WD Lab (PXRD): x376665<o:p></o:p></span></p>
<p class="MsoNormal"><span lang="EN-US" style="font-family:"Book Antiqua",serif"><o:p> </o:p></span></p>
<p class="MsoNormal"><span lang="EN-US" style="font-family:"Book Antiqua",serif">UBC School of Engineering<o:p></o:p></span></p>
<p class="MsoNormal"><span lang="EN-US" style="font-family:"Book Antiqua",serif">1540 Innovation Dr.<o:p></o:p></span></p>
<p class="MsoNormal"><span lang="EN-US" style="font-family:"Book Antiqua",serif">Kelowna, BC<o:p></o:p></span></p>
<p class="MsoNormal"><span lang="EN-US" style="font-family:"Book Antiqua",serif">V1V 1V7<o:p></o:p></span></p>
<p class="MsoNormal"><span style="font-family:"Book Antiqua",serif;mso-fareast-language:EN-US"><o:p> </o:p></span></p>
<p class="MsoNormal"><b><span lang="EN-US">From:</span></b><span lang="EN-US"> Carlo Segre <segre@iit.edu>
<br>
<b>Sent:</b> Monday, October 17, 2022 1:19 PM<br>
<b>To:</b> Brown, Matthew <matthew.brown@ubc.ca><br>
<b>Cc:</b> gsas-ii@aps.anl.gov<br>
<b>Subject:</b> Re: [Ext] [GSAS-II] Bruker brml files<o:p></o:p></span></p>
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<p class="MsoNormal"><span style="font-size:9.0pt;font-family:"Arial",sans-serif;color:black;background:#FFECB3;mso-fareast-language:EN-US">[<strong><span style="font-family:"Arial",sans-serif">CAUTION:</span></strong> Non-UBC Email]</span><span style="mso-fareast-language:EN-US"><o:p></o:p></span></p>
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<p class="MsoNormal"><span style="font-size:10.0pt">Hi Matthew:<o:p></o:p></span></p>
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<p class="MsoNormal"><span style="font-size:10.0pt"><o:p> </o:p></span></p>
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<p class="MsoNormal"><span style="font-size:10.0pt">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.<o:p></o:p></span></p>
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<p class="MsoNormal"><span style="font-size:10.0pt"><o:p> </o:p></span></p>
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<p class="MsoNormal"><span style="font-size:10.0pt">Carlo <o:p></o:p></span></p>
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<p class="MsoNormal"><span style="font-size:10.0pt"><o:p> </o:p></span></p>
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<p class="MsoNormal"><span style="font-size:10.0pt">On Mon, Oct 17, 2022 at 1:18 PM Brown, Matthew via GSAS-II <</span><a href="mailto:gsas-ii@aps.anl.gov"><span style="font-size:10.0pt">gsas-ii@aps.anl.gov</span></a><span style="font-size:10.0pt">> wrote:<o:p></o:p></span></p>
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<p class="MsoNormal" style="mso-margin-top-alt:auto;mso-margin-bottom-alt:auto"><span style="font-family:"Book Antiqua",serif">Salutations</span><o:p></o:p></p>
<p class="MsoNormal" style="mso-margin-top-alt:auto;mso-margin-bottom-alt:auto"><span style="font-family:"Book Antiqua",serif"> </span><o:p></o:p></p>
<p class="MsoNormal" style="mso-margin-top-alt:auto;mso-margin-bottom-alt:auto"><span style="font-family:"Book Antiqua",serif">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)</span><o:p></o:p></p>
<p class="MsoNormal" style="mso-margin-top-alt:auto;mso-margin-bottom-alt:auto"><span style="font-family:"Book Antiqua",serif"> </span><o:p></o:p></p>
<p class="MsoNormal" style="mso-margin-top-alt:auto;mso-margin-bottom-alt:auto"><span style="font-family:"Book Antiqua",serif">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.
</span><o:p></o:p></p>
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<span style="font-size:10.0pt;font-family:"Book Antiqua",serif">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.
</span><span style="font-size:10.0pt"><o:p></o:p></span></li><li class="m-2234072807973040177msolistparagraph" style="mso-list:l0 level1 lfo3">
<span style="font-size:10.0pt;font-family:"Book Antiqua",serif">My script doesn’t even use an XML parser, I just brute force loop over RawData0.xml using stuff like “elif line.startswith('<TimePerStep>'):”
</span><span style="font-size:10.0pt"><o:p></o:p></span></li></ol>
<p class="MsoNormal" style="mso-margin-top-alt:auto;mso-margin-bottom-alt:auto"><span style="font-family:"Book Antiqua",serif"> </span><o:p></o:p></p>
<p class="MsoNormal" style="mso-margin-top-alt:auto;mso-margin-bottom-alt:auto"><span style="font-family:"Book Antiqua",serif">Let me know if me documenting any of this would be useful, and I hope I can help,
</span><o:p></o:p></p>
<p class="MsoNormal" style="mso-margin-top-alt:auto;mso-margin-bottom-alt:auto"><span style="font-family:"Book Antiqua",serif"> </span><o:p></o:p></p>
<p class="MsoNormal" style="mso-margin-top-alt:auto;mso-margin-bottom-alt:auto"><span lang="EN-US" style="font-family:"Book Antiqua",serif">Dr. Matthew L. Brown (he/him, they/them)</span><o:p></o:p></p>
<p class="MsoNormal" style="mso-margin-top-alt:auto;mso-margin-bottom-alt:auto"><span lang="EN-US" style="font-family:"Book Antiqua",serif">Lab Technician V (Chemistry, Crystallography)</span><o:p></o:p></p>
<p class="MsoNormal" style="mso-margin-top-alt:auto;mso-margin-bottom-alt:auto"><span lang="EN-US" style="font-family:"Book Antiqua",serif">Office: 250-807-8365 | WD Lab (PXRD): x376665</span><o:p></o:p></p>
<p class="MsoNormal" style="mso-margin-top-alt:auto;mso-margin-bottom-alt:auto"><span lang="EN-US" style="font-family:"Book Antiqua",serif"> </span><o:p></o:p></p>
<p class="MsoNormal" style="mso-margin-top-alt:auto;mso-margin-bottom-alt:auto"><span lang="EN-US" style="font-family:"Book Antiqua",serif">UBC School of Engineering</span><o:p></o:p></p>
<p class="MsoNormal" style="mso-margin-top-alt:auto;mso-margin-bottom-alt:auto"><span lang="EN-US" style="font-family:"Book Antiqua",serif">1540 Innovation Dr.</span><o:p></o:p></p>
<p class="MsoNormal" style="mso-margin-top-alt:auto;mso-margin-bottom-alt:auto"><span lang="EN-US" style="font-family:"Book Antiqua",serif">Kelowna, BC</span><o:p></o:p></p>
<p class="MsoNormal" style="mso-margin-top-alt:auto;mso-margin-bottom-alt:auto"><span lang="EN-US" style="font-family:"Book Antiqua",serif">V1V 1V7</span><o:p></o:p></p>
<p class="MsoNormal" style="mso-margin-top-alt:auto;mso-margin-bottom-alt:auto"> <o:p></o:p></p>
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<p class="MsoNormal"><span style="font-size:10.0pt">_______________________________________________<br>
GSAS-II mailing list<br>
</span><a href="mailto:GSAS-II@aps.anl.gov" target="_blank"><span style="font-size:10.0pt">GSAS-II@aps.anl.gov</span></a><span style="font-size:10.0pt"><br>
</span><a href="https://mailman.aps.anl.gov/mailman/listinfo/gsas-ii" target="_blank"><span style="font-size:10.0pt">https://mailman.aps.anl.gov/mailman/listinfo/gsas-ii</span></a><span style="font-size:10.0pt"><o:p></o:p></span></p>
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<o:p></o:p></span></p>
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<p class="MsoNormal"><span style="font-size:10.0pt"><o:p> </o:p></span></p>
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<p class="MsoNormal"><span style="font-size:10.0pt">-- <o:p></o:p></span></p>
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<p class="MsoNormal"><span style="font-size:10.0pt">Carlo U. Segre (he/him) -- Duchossois Leadership Professor of Physics<o:p></o:p></span></p>
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<p class="MsoNormal"><span style="font-size:10.0pt">Professor of Materials Science & Engineering<o:p></o:p></span></p>
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<p class="MsoNormal"><span style="font-size:10.0pt">Director, Center for Synchrotron Radiation Research and Instrumentation<o:p></o:p></span></p>
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<p class="MsoNormal"><span style="font-size:10.0pt">Illinois Institute of Technology<o:p></o:p></span></p>
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<p class="MsoNormal"><span style="font-size:10.0pt">Voice: 312.567.3498 Fax: 312.567.3494<o:p></o:p></span></p>
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<p class="MsoNormal"><a href="mailto:segre@iit.edu" target="_blank"><span style="font-size:10.0pt">segre@iit.edu</span></a><span style="font-size:10.0pt">
</span><a href="http://phys.iit.edu/~segre" target="_blank"><span style="font-size:10.0pt">http://phys.iit.edu/~segre</span></a><span style="font-size:10.0pt">
</span><a href="mailto:segre@debian.org" target="_blank"><span style="font-size:10.0pt">segre@debian.org</span></a><span style="font-size:10.0pt"><o:p></o:p></span></p>
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<p class="MsoNormal"><span style="font-size:10.0pt"><o:p> </o:p></span></p>
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