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<p class="MsoNormal">Hi All,</p>
<p class="MsoNormal">There is now an importer for Bruker .brml files. It is simple in that it assumes only one RawData subfile in the .brml file. It does rescale all points by the true count time/step vs the apparent ount time. This is a slight effect unless
a variable count time data collection scheme is available from Bruker (I�ve no clue about that). NB: it will conda install xmltodict if it is absent from your python (it�s not usually installed in GSAS-II python). It will read multiple .brml files if they
are selected. PWDR entries are named according to the brml file name. It does not retrieve wavelength or environmental data at the present time.</p>
<p class="MsoNormal">Best,</p>
<p class="MsoNormal">Bob</p>
<p class="MsoNormal"><o:p> </o:p></p>
<p class="MsoNormal">Sent from <a href="https://go.microsoft.com/fwlink/?LinkId=550986">
Mail</a> for Windows</p>
<p class="MsoNormal"><o:p> </o:p></p>
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<p class="MsoNormal" style="border:none;padding:0in"><b>From: </b><a href="mailto:gsas-ii@aps.anl.gov">Carlo Segre via GSAS-II</a><br>
<b>Sent: </b>Monday, October 17, 2022 3:26 PM<br>
<b>To: </b><a href="mailto:matthew.brown@ubc.ca">Brown, Matthew</a><br>
<b>Cc: </b><a href="mailto:gsas-ii@aps.anl.gov">gsas-ii@aps.anl.gov</a><br>
<b>Subject: </b>Re: [GSAS-II] [Ext] Bruker brml files</p>
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<p class="MsoNormal"><o:p> </o:p></p>
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<p class="MsoNormal">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.<o:p></o:p></p>
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<p class="MsoNormal"><o:p> </o:p></p>
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<p class="MsoNormal">Carlo<o:p></o:p></p>
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<p class="MsoNormal"><o:p> </o:p></p>
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<p class="MsoNormal">On Mon, Oct 17, 2022 at 3:22 PM Brown, Matthew <<a href="mailto:matthew.brown@ubc.ca">matthew.brown@ubc.ca</a>> wrote:<o:p></o:p></p>
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<span lang="EN-CA" style="font-family:"Book Antiqua",serif">Carlo</span><span lang="EN-CA"><o:p></o:p></span></p>
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<span lang="EN-CA" style="font-family:"Book Antiqua",serif"> </span><span lang="EN-CA"><o:p></o:p></span></p>
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<span lang="EN-CA" style="font-family:"Book Antiqua",serif">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.</span><span lang="EN-CA"><o:p></o:p></span></p>
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<span lang="EN-CA" style="font-family:"Book Antiqua",serif"> </span><span lang="EN-CA"><o:p></o:p></span></p>
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<span style="font-family:"Book Antiqua",serif">Dr. Matthew L. Brown (he/him, they/them)</span><span lang="EN-CA"><o:p></o:p></span></p>
<p class="MsoNormal" style="mso-margin-top-alt:auto;mso-margin-bottom-alt:auto;margin-left:4.8pt">
<span style="font-family:"Book Antiqua",serif">Lab Technician V (Chemistry, Crystallography)</span><span lang="EN-CA"><o:p></o:p></span></p>
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<span style="font-family:"Book Antiqua",serif">Office: 250-807-8365 | WD Lab (PXRD): x376665</span><span lang="EN-CA"><o:p></o:p></span></p>
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<span style="font-family:"Book Antiqua",serif"> </span><span lang="EN-CA"><o:p></o:p></span></p>
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<span style="font-family:"Book Antiqua",serif">UBC School of Engineering</span><span lang="EN-CA"><o:p></o:p></span></p>
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<span style="font-family:"Book Antiqua",serif">1540 Innovation Dr.</span><span lang="EN-CA"><o:p></o:p></span></p>
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<span style="font-family:"Book Antiqua",serif">Kelowna, BC</span><span lang="EN-CA"><o:p></o:p></span></p>
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<span style="font-family:"Book Antiqua",serif">V1V 1V7</span><span lang="EN-CA"><o:p></o:p></span></p>
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<span lang="EN-CA" style="font-family:"Book Antiqua",serif"> </span><span lang="EN-CA"><o:p></o:p></span></p>
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<b>From:</b> Carlo Segre <<a href="mailto:segre@iit.edu" target="_blank">segre@iit.edu</a>>
<br>
<b>Sent:</b> Monday, October 17, 2022 1:19 PM<br>
<b>To:</b> Brown, Matthew <<a href="mailto:matthew.brown@ubc.ca" target="_blank">matthew.brown@ubc.ca</a>><br>
<b>Cc:</b> <a href="mailto:gsas-ii@aps.anl.gov" target="_blank">gsas-ii@aps.anl.gov</a><br>
<b>Subject:</b> Re: [Ext] [GSAS-II] Bruker brml files<span lang="EN-CA"><o:p></o:p></span></p>
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<span lang="EN-CA"> <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-size:9.0pt;font-family:"Arial",sans-serif;color:black;background:#FFECB3">[<strong><span style="font-family:"Arial",sans-serif">CAUTION:</span></strong> Non-UBC
Email]</span></p>
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<span lang="EN-CA" style="font-size:10.0pt;color:white">Hi Matthew:</span><span lang="EN-CA"><o:p></o:p></span></p>
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<span lang="EN-CA" style="font-size:10.0pt"> </span><span lang="EN-CA"><o:p></o:p></span></p>
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<span lang="EN-CA" 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.</span><span lang="EN-CA"><o:p></o:p></span></p>
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<span lang="EN-CA" style="font-size:10.0pt"> </span><span lang="EN-CA"><o:p></o:p></span></p>
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<span lang="EN-CA" style="font-size:10.0pt">Carlo </span><span lang="EN-CA"><o:p></o:p></span></p>
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<span lang="EN-CA" style="font-size:10.0pt"> </span><span lang="EN-CA"><o:p></o:p></span></p>
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<span lang="EN-CA" 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" target="_blank"><span lang="EN-CA" style="font-size:10.0pt">gsas-ii@aps.anl.gov</span></a><span lang="EN-CA" style="font-size:10.0pt">>
wrote:</span><span lang="EN-CA"><o:p></o:p></span></p>
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<span lang="EN-CA" style="font-family:"Book Antiqua",serif">Salutations</span><span lang="EN-CA"><o:p></o:p></span></p>
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<span lang="EN-CA" style="font-family:"Book Antiqua",serif"> </span><span lang="EN-CA"><o:p></o:p></span></p>
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<span lang="EN-CA" 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><span lang="EN-CA"><o:p></o:p></span></p>
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<span lang="EN-CA" style="font-family:"Book Antiqua",serif"> </span><span lang="EN-CA"><o:p></o:p></span></p>
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<span lang="EN-CA" 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><span lang="EN-CA"><o:p></o:p></span></p>
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<span lang="EN-CA" style="font-family:"Book Antiqua",serif"> </span><span lang="EN-CA"><o:p></o:p></span></p>
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<span lang="EN-CA" 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 lang="EN-CA"><o:p></o:p></span></li><li class="m7620959742197132228m-2234072807973040177msolistparagraph" style="mso-list:l0 level1 lfo1">
<span lang="EN-CA" 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 lang="EN-CA"><o:p></o:p></span></li></ol>
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<span lang="EN-CA" style="font-family:"Book Antiqua",serif"> </span><span lang="EN-CA"><o:p></o:p></span></p>
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<span lang="EN-CA" 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><span lang="EN-CA"><o:p></o:p></span></p>
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<span lang="EN-CA" style="font-family:"Book Antiqua",serif"> </span><span lang="EN-CA"><o:p></o:p></span></p>
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<span style="font-family:"Book Antiqua",serif">Dr. Matthew L. Brown (he/him, they/them)</span><span lang="EN-CA"><o:p></o:p></span></p>
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<span style="font-family:"Book Antiqua",serif">Lab Technician V (Chemistry, Crystallography)</span><span lang="EN-CA"><o:p></o:p></span></p>
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<span style="font-family:"Book Antiqua",serif">Office: 250-807-8365 | WD Lab (PXRD): x376665</span><span lang="EN-CA"><o:p></o:p></span></p>
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<span style="font-family:"Book Antiqua",serif"> </span><span lang="EN-CA"><o:p></o:p></span></p>
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<span style="font-family:"Book Antiqua",serif">UBC School of Engineering</span><span lang="EN-CA"><o:p></o:p></span></p>
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<span style="font-family:"Book Antiqua",serif">1540 Innovation Dr.</span><span lang="EN-CA"><o:p></o:p></span></p>
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<span style="font-family:"Book Antiqua",serif">Kelowna, BC</span><span lang="EN-CA"><o:p></o:p></span></p>
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<span style="font-family:"Book Antiqua",serif">V1V 1V7</span><span lang="EN-CA"><o:p></o:p></span></p>
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<span lang="EN-CA"> <o:p></o:p></span></p>
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<span lang="EN-CA" style="font-size:10.0pt">_______________________________________________<br>
GSAS-II mailing list<br>
</span><a href="mailto:GSAS-II@aps.anl.gov" target="_blank"><span lang="EN-CA" style="font-size:10.0pt">GSAS-II@aps.anl.gov</span></a><span lang="EN-CA" style="font-size:10.0pt"><br>
</span><a href="https://mailman.aps.anl.gov/mailman/listinfo/gsas-ii" target="_blank"><span lang="EN-CA" style="font-size:10.0pt">https://mailman.aps.anl.gov/mailman/listinfo/gsas-ii</span></a><span lang="EN-CA"><o:p></o:p></span></p>
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</blockquote>
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<span lang="EN-CA" style="font-size:10.0pt"><br clear="all">
</span><span lang="EN-CA"><o:p></o:p></span></p>
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<span lang="EN-CA" style="font-size:10.0pt"> </span><span lang="EN-CA"><o:p></o:p></span></p>
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<span lang="EN-CA" style="font-size:10.0pt">-- </span><span lang="EN-CA"><o:p></o:p></span></p>
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<span lang="EN-CA" style="font-size:10.0pt">Carlo U. Segre (he/him) -- Duchossois Leadership Professor of Physics</span><span lang="EN-CA"><o:p></o:p></span></p>
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<span lang="EN-CA" style="font-size:10.0pt">Professor of Materials Science & Engineering</span><span lang="EN-CA"><o:p></o:p></span></p>
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<span lang="EN-CA" style="font-size:10.0pt">Director, Center for Synchrotron Radiation Research and Instrumentation</span><span lang="EN-CA"><o:p></o:p></span></p>
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<span lang="EN-CA" style="font-size:10.0pt">Illinois Institute of Technology</span><span lang="EN-CA"><o:p></o:p></span></p>
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<span lang="EN-CA" style="font-size:10.0pt">Voice: 312.567.3498 Fax: 312.567.3494</span><span lang="EN-CA"><o:p></o:p></span></p>
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<a href="mailto:segre@iit.edu" target="_blank"><span lang="EN-CA" style="font-size:10.0pt">segre@iit.edu</span></a><span lang="EN-CA" style="font-size:10.0pt">
</span><a href="http://phys.iit.edu/~segre" target="_blank"><span lang="EN-CA" style="font-size:10.0pt">http://phys.iit.edu/~segre</span></a><span lang="EN-CA" style="font-size:10.0pt">
</span><a href="mailto:segre@debian.org" target="_blank"><span lang="EN-CA" style="font-size:10.0pt">segre@debian.org</span></a><span lang="EN-CA"><o:p></o:p></span></p>
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<span lang="EN-CA" style="font-size:10.0pt"> </span><span lang="EN-CA"><o:p></o:p></span></p>
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<o:p></o:p></p>
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<p class="MsoNormal"><o:p> </o:p></p>
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<p class="MsoNormal">-- <o:p></o:p></p>
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<p class="MsoNormal">Carlo U. Segre (he/him) -- Duchossois Leadership Professor of Physics<o:p></o:p></p>
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<p class="MsoNormal">Professor of Materials Science & Engineering<o:p></o:p></p>
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<p class="MsoNormal">Director, Center for Synchrotron Radiation Research and Instrumentation<o:p></o:p></p>
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<p class="MsoNormal">Illinois Institute of Technology<o:p></o:p></p>
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<p class="MsoNormal">Voice: 312.567.3498 Fax: 312.567.3494<o:p></o:p></p>
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<p class="MsoNormal"><a href="mailto:segre@iit.edu" target="_blank">segre@iit.edu</a>
<a href="http://phys.iit.edu/~segre" target="_blank">http://phys.iit.edu/~segre</a>
<a href="mailto:segre@debian.org" target="_blank">segre@debian.org</a><o:p></o:p></p>
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