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<p class="MsoNormal">Indeed, the BRML importer was designed only to handle single-scan files. Multi-scan files seem to have way more RawData files than there are actual scans. The importer choked on the first entry in a multi-scan .brml file because it did
not contain a valid scan. I’m not sure I’d call this a bug, since the importer was only designed to read single-scan .brml files (all that we had seen.) <o:p></o:p></p>
<p class="MsoNormal"> <o:p></o:p></p>
<p class="MsoNormal">Anyway, yesterday and today, I updated the BRML importer and it now it will read all the files with valid diffraction scans from a multi-scan file and will pass quietly over the ones that don’t. The importer also ignores all the other information
in the zip archive, as I have no idea what is there; but I’m not sure I want to write code read it either, but I could be convinced.
<o:p></o:p></p>
<p class="MsoNormal"> <o:p></o:p></p>
<p class="MsoNormal">For that matter we also can’t read Bruker Raw version 4 (versions 1-3 are OK) because we can’t get any information on how the version 4 file is structured (and Bruker does not seem to have any records). Information on that would be helpful
and would be acted upon if anyone seeing that can help. <o:p></o:p></p>
<p class="MsoNormal"> <o:p></o:p></p>
<p class="MsoNormal">Brian<o:p></o:p></p>
<p class="MsoNormal"><o:p> </o:p></p>
<p class="MsoNormal">P.S. <i>Merci</i> Matt!<o:p></o:p></p>
<p class="MsoNormal"><o:p> </o:p></p>
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<p class="MsoNormal" style="margin-bottom:12.0pt"><b><span style="color:black">From:
</span></b><span style="color:black">GSAS-II <gsas-ii-bounces@aps.anl.gov> on behalf of SUCHOMEL Matthew via GSAS-II <gsas-ii@aps.anl.gov><br>
<b>Date: </b>Friday, December 13, 2024 at 2:08</span><span style="font-family:"Arial",sans-serif;color:black"> </span><span style="color:black">AM<br>
</span><span style="font-size:1.0pt;color:white">ZjQcmQRYFpfptBannerEnd<o:p></o:p></span></p>
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<pre style="white-space:pre-wrap"><span style="font-size:12.0pt;font-family:"Arial",sans-serif">Dear Matthew<o:p></o:p></span></pre>
<pre><span style="font-size:12.0pt;font-family:"Arial",sans-serif"><o:p> </o:p></span></pre>
<pre><span style="font-size:12.0pt;font-family:"Arial",sans-serif">I’m not familer with all the details of the GSAS-II Module for Bruker .raw & .brml imports: you see the docs and source here (section 20.3.5)<o:p></o:p></span></pre>
<pre><span style="font-size:12.0pt;font-family:"Arial",sans-serif"><o:p> </o:p></span></pre>
<pre><span style="font-size:12.0pt;font-family:"Arial",sans-serif">There might be a bug, but I’d also be surprised if the module was designed to handle the case of brml files which contain many distinct datasets or scans in the single zip file (like your VT case). Moreover, the details of the .brml files seem to sometimes vary depending of the exact types of scans in the .brml zip (continuous scan, static scans, etc). Even Bruker's own DIFFRAC.FileExchange program doesn’t always work. <o:p></o:p></span></pre>
<pre><span style="font-size:12.0pt;font-family:"Arial",sans-serif"><o:p> </o:p></span></pre>
<pre><span style="font-size:12.0pt;font-family:"Arial",sans-serif">In situation like this, I typically use DIFFRAC.EVA to just export all the datasets from a multi-scan brml as separate RAW or XY files. I believe you can select all files in the data-tree within EVA and export with a single click. Then, it is rather more simple to plot and / or analysis the data using non-Bruker software. <o:p></o:p></span></pre>
<pre><span style="font-size:12.0pt;font-family:"Arial",sans-serif"><o:p> </o:p></span></pre>
<pre><span style="font-size:12.0pt;font-family:"Arial",sans-serif">best regards <o:p></o:p></span></pre>
<pre><span style="font-size:12.0pt;font-family:"Arial",sans-serif">Matthew <o:p></o:p></span></pre>
<pre><span style="font-size:12.0pt;font-family:"Arial",sans-serif"><o:p> </o:p></span></pre>
<pre><span style="font-size:12.0pt;font-family:"Arial",sans-serif">Matthew SUCHOMEL<o:p></o:p></span></pre>
<pre><span style="font-size:12.0pt;font-family:"Arial",sans-serif">Chargé de recherche<o:p></o:p></span></pre>
<pre><span style="font-size:12.0pt;font-family:"Arial",sans-serif">ICMCB - CNRS<o:p></o:p></span></pre>
<pre><span style="font-size:12.0pt;font-family:"Arial",sans-serif">87 avenue du Dr Schweitzer<o:p></o:p></span></pre>
<pre><span style="font-size:12.0pt;font-family:"Arial",sans-serif">33608 Pessac Cedex<o:p></o:p></span></pre>
<pre><span style="font-size:12.0pt;font-family:"Arial",sans-serif">matthew.suchomel@icmcb.cnrs.fr<o:p></o:p></span></pre>
<pre><span style="font-size:12.0pt;font-family:"Arial",sans-serif"><o:p> </o:p></span></pre>
<pre><span style="font-size:12.0pt;font-family:"Arial",sans-serif"><o:p> </o:p></span></pre>
<pre><span style="font-size:12.0pt;font-family:"Arial",sans-serif">> Today's Topics:<o:p></o:p></span></pre>
<pre><span style="font-size:12.0pt;font-family:"Arial",sans-serif">> <o:p></o:p></span></pre>
<pre><span style="font-size:12.0pt;font-family:"Arial",sans-serif">> 1. Bug in BRML file importer (Brown, Matthew)<o:p></o:p></span></pre>
<pre><span style="font-size:12.0pt;font-family:"Arial",sans-serif">> <o:p></o:p></span></pre>
<pre><span style="font-size:12.0pt;font-family:"Arial",sans-serif">> <o:p></o:p></span></pre>
<pre><span style="font-size:12.0pt;font-family:"Arial",sans-serif">> ----------------------------------------------------------------------<o:p></o:p></span></pre>
<pre><span style="font-size:12.0pt;font-family:"Arial",sans-serif">> <o:p></o:p></span></pre>
<pre><span style="font-size:12.0pt;font-family:"Arial",sans-serif">> Message: 1<o:p></o:p></span></pre>
<pre><span style="font-size:12.0pt;font-family:"Arial",sans-serif">> Date: Thu, 12 Dec 2024 21:34:58 +0000<o:p></o:p></span></pre>
<pre><span style="font-size:12.0pt;font-family:"Arial",sans-serif">> From: "Brown, Matthew" <matthew.brown@ubc.ca><o:p></o:p></span></pre>
<pre><span style="font-size:12.0pt;font-family:"Arial",sans-serif">> To: "gsas-ii@aps.anl.gov" <gsas-ii@aps.anl.gov><o:p></o:p></span></pre>
<pre><span style="font-size:12.0pt;font-family:"Arial",sans-serif">> Subject: [GSAS-II] Bug in BRML file importer<o:p></o:p></span></pre>
<pre><span style="font-size:12.0pt;font-family:"Arial",sans-serif">> Message-ID:<o:p></o:p></span></pre>
<pre><span style="font-size:12.0pt;font-family:"Arial",sans-serif">> <QB1PR01MB348903E674AA3D04935D0E3E9C3F2@QB1PR01MB3489.CANPRD01.PROD.OUTLOOK.COM><o:p></o:p></span></pre>
<pre><span style="font-size:12.0pt;font-family:"Arial",sans-serif">> <o:p></o:p></span></pre>
<pre><span style="font-size:12.0pt;font-family:"Arial",sans-serif">> Content-Type: text/plain; charset="iso-8859-1"<o:p></o:p></span></pre>
<pre><span style="font-size:12.0pt;font-family:"Arial",sans-serif">> <o:p></o:p></span></pre>
<pre><span style="font-size:12.0pt;font-family:"Arial",sans-serif">> <o:p></o:p></span></pre>
<pre><span style="font-size:12.0pt;font-family:"Arial",sans-serif">> Salutations<o:p></o:p></span></pre>
<pre><span style="font-size:12.0pt;font-family:"Arial",sans-serif">> <o:p></o:p></span></pre>
<pre><span style="font-size:12.0pt;font-family:"Arial",sans-serif">> I'm trying to do a temperature calibration for my MTC-Furnace based on the Bruker manual. So I used the automation system to get an MgO measurement at each relevant temperature, and then I was going to use GSAS-II to do Ritveld on it to get the temperature. However, when I try and open any *.brml file with more then one data set in it, I get the following error:<o:p></o:p></span></pre>
<pre><span style="font-size:12.0pt;font-family:"Arial",sans-serif">> <o:p></o:p></span></pre>
<pre><span style="font-size:12.0pt;font-family:"Arial",sans-serif">> The Bruker .brml file reader was not able to read file C:\Users\BrukerAXS\Documents\Data\ImportantData\HighTemp\MgO-UncalibratedChamber.brml<o:p></o:p></span></pre>
<pre><span style="font-size:12.0pt;font-family:"Arial",sans-serif">> <o:p></o:p></span></pre>
<pre><span style="font-size:12.0pt;font-family:"Arial",sans-serif">> Error message(s):<o:p></o:p></span></pre>
<pre><span style="font-size:12.0pt;font-family:"Arial",sans-serif">> <o:p></o:p></span></pre>
<pre><span style="font-size:12.0pt;font-family:"Arial",sans-serif">> Bruker .brml file read error:<o:p></o:p></span></pre>
<pre><span style="font-size:12.0pt;font-family:"Arial",sans-serif">> Unhandled read exception: list index out of range<o:p></o:p></span></pre>
<pre><span style="font-size:12.0pt;font-family:"Arial",sans-serif">> Traceback info:<o:p></o:p></span></pre>
<pre><span style="font-size:12.0pt;font-family:"Arial",sans-serif">> Traceback (most recent call last):<o:p></o:p></span></pre>
<pre><span style="font-size:12.0pt;font-family:"Arial",sans-serif">> File "C:\Users\BrukerAXS\gsas2full\GSAS-II\GSASII\GSASIIdataGUI.py", line 1007, in OnImportGeneric<o:p></o:p></span></pre>
<pre><span style="font-size:12.0pt;font-family:"Arial",sans-serif">> flag = rd.Reader(filename,self,buffer=rdbuffer,<o:p></o:p></span></pre>
<pre><span style="font-size:12.0pt;font-family:"Arial",sans-serif">> ^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^<o:p></o:p></span></pre>
<pre><span style="font-size:12.0pt;font-family:"Arial",sans-serif">> File "C:\Users\BrukerAXS\gsas2full\GSAS-II\GSASII\imports\G2pwd_BrukerRAW.py", line 287, in Reader<o:p></o:p></span></pre>
<pre><span style="font-size:12.0pt;font-family:"Arial",sans-serif">> x[i] = float(entry[2])<o:p></o:p></span></pre>
<pre><span style="font-size:12.0pt;font-family:"Arial",sans-serif">> ~~~~~^^^<o:p></o:p></span></pre>
<pre><span style="font-size:12.0pt;font-family:"Arial",sans-serif">> IndexError: list index out of range<o:p></o:p></span></pre>
<pre><span style="font-size:12.0pt;font-family:"Arial",sans-serif">> <o:p></o:p></span></pre>
<pre><span style="font-size:12.0pt;font-family:"Arial",sans-serif">> (I got the exact same error when trying to import the LaB6 data; I took one of those at each temperature I got MgO data for, as I wasn't sure if the instrument parameters would change with temperature, and I figured it was better to have the data and not need it, then find I needed it later.)<o:p></o:p></span></pre>
<pre><span style="font-size:12.0pt;font-family:"Arial",sans-serif">> <o:p></o:p></span></pre>
<pre><span style="font-size:12.0pt;font-family:"Arial",sans-serif">> Thank you all<o:p></o:p></span></pre>
<pre><span style="font-size:12.0pt;font-family:"Arial",sans-serif">> <o:p></o:p></span></pre>
<pre><span style="font-size:12.0pt;font-family:"Arial",sans-serif">> --Dr Matthew L. Brown<o:p></o:p></span></pre>
<pre><span style="font-size:12.0pt;font-family:"Arial",sans-serif">> <o:p></o:p></span></pre>
<pre><span style="font-size:12.0pt;font-family:"Arial",sans-serif">> P.S. If anyone has advice on high temperature PXRD, or how to calibrate an ambient high temperature chamber, or working with Bruker's Diffrac.Commander software at high temperature, I'd love to talk as some of this is rather non-intuitive and I'm way behind schedule on these experiments.<o:p></o:p></span></pre>
<pre><span style="font-size:12.0pt;font-family:"Arial",sans-serif">> <o:p></o:p></span></pre>
<pre><span style="font-size:12.0pt;font-family:"Arial",sans-serif">> ---<o:p></o:p></span></pre>
<pre><span style="font-size:12.0pt;font-family:"Arial",sans-serif"><o:p> </o:p></span></pre>
<pre><span style="font-size:12.0pt;font-family:"Arial",sans-serif"><o:p> </o:p></span></pre>
<pre><span style="font-size:12.0pt;font-family:"Arial",sans-serif"><o:p> </o:p></span></pre>
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