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<p class="MsoNormal"><span style="font-family:"Book Antiqua",serif;mso-fareast-language:EN-US">Bob<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">Thank you very much, that was very fast. I have checked my instrument, and I don’t see that option in the control panel, but that isn’t something I’ve had a desire
to do yet so I’ve not looked into it heavily. <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>
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<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>
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<p class="MsoNormal"><b><span lang="EN-US">From:</span></b><span lang="EN-US"> Von Dreele, Robert B. <vondreele@anl.gov>
<br>
<b>Sent:</b> Wednesday, October 19, 2022 8:17 AM<br>
<b>To:</b> Carlo Segre <segre@iit.edu>; Brown, Matthew <matthew.brown@ubc.ca>; Toby, Brian H. <toby@anl.gov><br>
<b>Cc:</b> gsas-ii@aps.anl.gov<br>
<b>Subject:</b> RE: [GSAS-II] [Ext] 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">[<strong><span style="font-family:"Arial",sans-serif">CAUTION:</span></strong> Non-UBC Email]</span><o:p></o:p></p>
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<p class="MsoNormal"><span lang="EN-US">Hi All,<o:p></o:p></span></p>
<p class="MsoNormal"><span lang="EN-US">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.<o:p></o:p></span></p>
<p class="MsoNormal"><span lang="EN-US">Best,<o:p></o:p></span></p>
<p class="MsoNormal"><span lang="EN-US">Bob<o:p></o:p></span></p>
<p class="MsoNormal"><span lang="EN-US"><o:p> </o:p></span></p>
<p class="MsoNormal"><span lang="EN-US">Sent from <a href="https://go.microsoft.com/fwlink/?LinkId=550986">
Mail</a> for Windows<o:p></o:p></span></p>
<p class="MsoNormal"><span lang="EN-US"><o:p> </o:p></span></p>
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<p class="MsoNormal"><b><span lang="EN-US">From: </span></b><span lang="EN-US"><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<o:p></o:p></span></p>
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<p class="MsoNormal"><span lang="EN-US"><o:p> </o:p></span></p>
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<p class="MsoNormal"><span lang="EN-US">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></span></p>
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<p class="MsoNormal"><span lang="EN-US"><o:p> </o:p></span></p>
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<p class="MsoNormal"><span lang="EN-US">Carlo<o:p></o:p></span></p>
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<p class="MsoNormal"><span lang="EN-US"><o:p> </o:p></span></p>
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<p class="MsoNormal"><span lang="EN-US">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></span></p>
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<span style="font-family:"Book Antiqua",serif">Carlo</span><o:p></o:p></p>
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<span style="font-family:"Book Antiqua",serif"> </span><o:p></o:p></p>
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<span 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><o:p></o:p></p>
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<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;margin-left:4.8pt">
<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;margin-left:4.8pt">
<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;margin-left:4.8pt">
<span lang="EN-US" style="font-family:"Book Antiqua",serif">Office: 250-807-8365 | WD Lab (PXRD): x376665</span><o:p></o:p></p>
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<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;margin-left:4.8pt">
<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;margin-left:4.8pt">
<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;margin-left:4.8pt">
<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;margin-left:4.8pt">
<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;margin-left:4.8pt">
<span style="font-family:"Book Antiqua",serif"> </span><o:p></o:p></p>
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<b><span lang="EN-US">From:</span></b><span lang="EN-US"> 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><o:p></o:p></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><o:p></o:p></p>
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<span style="font-size:10.0pt;color:white">Hi Matthew:</span><o:p></o:p></p>
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<span style="font-size:10.0pt"> </span><o:p></o:p></p>
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<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.</span><o:p></o:p></p>
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<span style="font-size:10.0pt"> </span><o:p></o:p></p>
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<span style="font-size:10.0pt">Carlo </span><o:p></o:p></p>
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<span style="font-size:10.0pt"> </span><o:p></o:p></p>
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<span style="font-size:10.0pt">On Mon, Oct 17, 2022 at 1:18 PM Brown, Matthew via GSAS-II <</span><span lang="EN-US"><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><span style="font-size:10.0pt">>
wrote:</span><o:p></o:p></p>
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<span style="font-family:"Book Antiqua",serif">Salutations</span><o:p></o:p></p>
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<span style="font-family:"Book Antiqua",serif"> </span><o:p></o:p></p>
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<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>
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<span style="font-family:"Book Antiqua",serif"> </span><o:p></o:p></p>
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<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-family:"Book Antiqua",serif"> </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><o:p></o:p></li><li class="m7620959742197132228m-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>'):”
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<span style="font-family:"Book Antiqua",serif"> </span><o:p></o:p></p>
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<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>
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<span style="font-family:"Book Antiqua",serif"> </span><o:p></o:p></p>
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<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;margin-left:9.6pt">
<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;margin-left:9.6pt">
<span lang="EN-US" style="font-family:"Book Antiqua",serif">Office: 250-807-8365 | WD Lab (PXRD): x376665</span><o:p></o:p></p>
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<span lang="EN-US" style="font-family:"Book Antiqua",serif"> </span><o:p></o:p></p>
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<span lang="EN-US" style="font-family:"Book Antiqua",serif">UBC School of Engineering</span><o:p></o:p></p>
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<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;margin-left:9.6pt">
<span lang="EN-US" style="font-family:"Book Antiqua",serif">Kelowna, BC</span><o:p></o:p></p>
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<span lang="EN-US" style="font-family:"Book Antiqua",serif">V1V 1V7</span><o:p></o:p></p>
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<o:p></o:p></p>
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<span style="font-size:10.0pt">_______________________________________________<br>
GSAS-II mailing list<br>
</span><span lang="EN-US"><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><span style="font-size:10.0pt"><br>
</span><span lang="EN-US"><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><o:p></o:p></p>
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</blockquote>
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<p class="MsoNormal" style="mso-margin-top-alt:auto;mso-margin-bottom-alt:auto;margin-left:4.8pt">
<span style="font-size:10.0pt"><br clear="all">
</span><o:p></o:p></p>
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<p class="MsoNormal" style="mso-margin-top-alt:auto;mso-margin-bottom-alt:auto;margin-left:4.8pt">
<span style="font-size:10.0pt"> </span><o:p></o:p></p>
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<p class="MsoNormal" style="mso-margin-top-alt:auto;mso-margin-bottom-alt:auto;margin-left:4.8pt">
<span style="font-size:10.0pt">-- </span><o:p></o:p></p>
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<div>
<div>
<div>
<div>
<p class="MsoNormal" style="mso-margin-top-alt:auto;mso-margin-bottom-alt:auto;margin-left:4.8pt">
<span style="font-size:10.0pt">Carlo U. Segre (he/him) -- Duchossois Leadership Professor of Physics</span><o:p></o:p></p>
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<p class="MsoNormal" style="mso-margin-top-alt:auto;mso-margin-bottom-alt:auto;margin-left:4.8pt">
<span style="font-size:10.0pt">Professor of Materials Science & Engineering</span><o:p></o:p></p>
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<p class="MsoNormal" style="mso-margin-top-alt:auto;mso-margin-bottom-alt:auto;margin-left:4.8pt">
<span style="font-size:10.0pt">Director, Center for Synchrotron Radiation Research and Instrumentation</span><o:p></o:p></p>
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<p class="MsoNormal" style="mso-margin-top-alt:auto;mso-margin-bottom-alt:auto;margin-left:4.8pt">
<span style="font-size:10.0pt">Illinois Institute of Technology</span><o:p></o:p></p>
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<p class="MsoNormal" style="mso-margin-top-alt:auto;mso-margin-bottom-alt:auto;margin-left:4.8pt">
<span style="font-size:10.0pt">Voice: 312.567.3498 Fax: 312.567.3494</span><o:p></o:p></p>
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<p class="MsoNormal" style="mso-margin-top-alt:auto;mso-margin-bottom-alt:auto;margin-left:4.8pt">
<span lang="EN-US"><a href="mailto:segre@iit.edu" target="_blank"><span lang="EN-CA" style="font-size:10.0pt">segre@iit.edu</span></a></span><span style="font-size:10.0pt">
</span><span lang="EN-US"><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><span style="font-size:10.0pt">
</span><span lang="EN-US"><a href="mailto:segre@debian.org" target="_blank"><span lang="EN-CA" style="font-size:10.0pt">segre@debian.org</span></a></span><o:p></o:p></p>
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<p class="MsoNormal" style="mso-margin-top-alt:auto;mso-margin-bottom-alt:auto;margin-left:4.8pt">
<span style="font-size:10.0pt"> </span><o:p></o:p></p>
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</blockquote>
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<p class="MsoNormal"><span lang="EN-US"><br clear="all">
<o:p></o:p></span></p>
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<p class="MsoNormal"><span lang="EN-US"><o:p> </o:p></span></p>
</div>
<p class="MsoNormal"><span lang="EN-US">-- <o:p></o:p></span></p>
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<div>
<div>
<div>
<div>
<p class="MsoNormal"><span lang="EN-US">Carlo U. Segre (he/him) -- Duchossois Leadership Professor of Physics<o:p></o:p></span></p>
</div>
<div>
<p class="MsoNormal"><span lang="EN-US">Professor of Materials Science & Engineering<o:p></o:p></span></p>
</div>
<div>
<p class="MsoNormal"><span lang="EN-US">Director, Center for Synchrotron Radiation Research and Instrumentation<o:p></o:p></span></p>
</div>
<div>
<p class="MsoNormal"><span lang="EN-US">Illinois Institute of Technology<o:p></o:p></span></p>
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<div>
<p class="MsoNormal"><span lang="EN-US">Voice: 312.567.3498 Fax: 312.567.3494<o:p></o:p></span></p>
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<div>
<p class="MsoNormal"><span lang="EN-US"><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></span></p>
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</div>
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<p class="MsoNormal"><span lang="EN-US"><o:p> </o:p></span></p>
<p class="MsoNormal"><span lang="EN-US"><o:p> </o:p></span></p>
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