<html xmlns:v="urn:schemas-microsoft-com:vml" xmlns:o="urn:schemas-microsoft-com:office:office" xmlns:w="urn:schemas-microsoft-com:office:word" xmlns:m="http://schemas.microsoft.com/office/2004/12/omml" xmlns="http://www.w3.org/TR/REC-html40">
<head>
<meta http-equiv="Content-Type" content="text/html; charset=us-ascii">
<meta name="Generator" content="Microsoft Word 15 (filtered medium)">
<!--[if !mso]><style>v\:* {behavior:url(#default#VML);}
o\:* {behavior:url(#default#VML);}
w\:* {behavior:url(#default#VML);}
.shape {behavior:url(#default#VML);}
</style><![endif]--><style><!--
/* Font Definitions */
@font-face
{font-family:"Cambria Math";
panose-1:2 4 5 3 5 4 6 3 2 4;}
@font-face
{font-family:Calibri;
panose-1:2 15 5 2 2 2 4 3 2 4;}
@font-face
{font-family:Tahoma;
panose-1:2 11 6 4 3 5 4 4 2 4;}
/* Style Definitions */
p.MsoNormal, li.MsoNormal, div.MsoNormal
{margin:0in;
margin-bottom:.0001pt;
font-size:12.0pt;
font-family:"Times New Roman",serif;}
a:link, span.MsoHyperlink
{mso-style-priority:99;
color:#0563C1;
text-decoration:underline;}
a:visited, span.MsoHyperlinkFollowed
{mso-style-priority:99;
color:#954F72;
text-decoration:underline;}
p
{mso-style-priority:99;
margin:0in;
margin-bottom:.0001pt;
font-size:12.0pt;
font-family:"Times New Roman",serif;}
p.msonormal0, li.msonormal0, div.msonormal0
{mso-style-name:msonormal;
margin:0in;
margin-bottom:.0001pt;
font-size:12.0pt;
font-family:"Times New Roman",serif;}
span.EmailStyle19
{mso-style-type:personal-reply;
font-family:"Calibri",sans-serif;
color:#1F497D;}
.MsoChpDefault
{mso-style-type:export-only;
font-size:10.0pt;}
@page WordSection1
{size:8.5in 11.0in;
margin:1.0in 1.0in 1.0in 1.0in;}
div.WordSection1
{page:WordSection1;}
--></style><!--[if gte mso 9]><xml>
<o:shapedefaults v:ext="edit" spidmax="1026" />
</xml><![endif]--><!--[if gte mso 9]><xml>
<o:shapelayout v:ext="edit">
<o:idmap v:ext="edit" data="1" />
</o:shapelayout></xml><![endif]-->
</head>
<body lang="EN-US" link="#0563C1" vlink="#954F72">
<div class="WordSection1">
<p class="MsoNormal"><span style="font-size:11.0pt;font-family:"Calibri",sans-serif;color:#1F497D">Dear Leighanne,
<o:p></o:p></span></p>
<p class="MsoNormal"><span style="font-size:11.0pt;font-family:"Calibri",sans-serif;color:#1F497D"><o:p> </o:p></span></p>
<p class="MsoNormal"><span style="font-size:11.0pt;font-family:"Calibri",sans-serif;color:#1F497D">Thanks for the suggestions. I will inquire about the sample holder. I’ll also look into the custom calibration approach.
<o:p></o:p></span></p>
<p class="MsoNormal"><span style="font-size:11.0pt;font-family:"Calibri",sans-serif;color:#1F497D"><o:p> </o:p></span></p>
<p class="MsoNormal"><span style="font-size:11.0pt;font-family:"Calibri",sans-serif;color:#1F497D">Best,<o:p></o:p></span></p>
<p class="MsoNormal"><span style="font-size:11.0pt;font-family:"Calibri",sans-serif;color:#1F497D">David<o:p></o:p></span></p>
<p class="MsoNormal"><span style="font-size:11.0pt;font-family:"Calibri",sans-serif;color:#1F497D"><o:p> </o:p></span></p>
<div>
<div style="border:none;border-top:solid #E1E1E1 1.0pt;padding:3.0pt 0in 0in 0in">
<p class="MsoNormal" style="margin-left:.5in"><b><span style="font-size:11.0pt;font-family:"Calibri",sans-serif">From:</span></b><span style="font-size:11.0pt;font-family:"Calibri",sans-serif"> Gallington, Leighanne C. <Gallington@anl.gov>
<br>
<b>Sent:</b> Friday, May 21, 2021 1:43 PM<br>
<b>To:</b> gsas-ii@aps.anl.gov; Agyeman-Budu, David Nana <agyeman@slac.stanford.edu><br>
<b>Subject:</b> Re: Calibration of histograms to known peaks<o:p></o:p></span></p>
</div>
</div>
<p class="MsoNormal" style="margin-left:.5in"><o:p> </o:p></p>
<div>
<p class="MsoNormal" style="margin-left:.5in"><span style="font-family:"Calibri",sans-serif;color:black">Do you still have access to your sample mount? The most straightforward way would be to measure how much the sample was shifted up or downstream with a
ruler as a starting point and see how much that improves things.<o:p></o:p></span></p>
</div>
<div>
<p class="MsoNormal" style="margin-left:.5in"><span style="font-family:"Calibri",sans-serif;color:black">For the custom calibration approach: You can add custom calibrants to the drop down menu by creating a UserCalibrants.py file. There are instructions in
the ImageCalibrants.py file in the GSAS-II folder for the exact formatting. This approach won't work if the copper peaks aren't sharp enough.
<o:p></o:p></span></p>
</div>
<div>
<p class="MsoNormal" style="margin-left:.5in"><span style="font-family:"Calibri",sans-serif;color:black">Another approach would be to calculate the shift in expected vs measured position for each copper peak, then interpolate a smoothly varying function and
apply that correction to your data. This will only work for peaks inside the range of the copper peaks--the position of any peak at lower 2theta than the first Cu peak will be unreliable.<o:p></o:p></span></p>
</div>
<div>
<div>
<p class="MsoNormal" style="margin-left:.5in"><span style="font-family:"Calibri",sans-serif;color:black"><o:p> </o:p></span></p>
</div>
<div id="Signature">
<div>
<div id="divtagdefaultwrapper">
<div>
<p class="MsoNormal" style="margin-left:.5in"><span style="font-size:10.0pt;font-family:"Tahoma",sans-serif;color:black">--
<br>
Leighanne C. Gallington, Ph.D.<br>
Assistant Chemist<br>
Advanced Photon Source (X-ray Science Division)<br>
Argonne National Laboratory<br>
Argonne, IL 60439<br>
<a href="mailto:gallington@anl.gov">gallington@anl.gov</a><o:p></o:p></span></p>
</div>
</div>
</div>
</div>
</div>
<div>
<div>
<p class="MsoNormal" style="margin-left:.5in"><span style="font-family:"Calibri",sans-serif;color:black"><o:p> </o:p></span></p>
</div>
<div class="MsoNormal" align="center" style="margin-left:.5in;text-align:center">
<hr size="3" width="98%" align="center">
</div>
<div id="divRplyFwdMsg">
<p class="MsoNormal" style="margin-left:.5in"><b><span style="font-size:11.0pt;font-family:"Calibri",sans-serif;color:black">From:</span></b><span style="font-size:11.0pt;font-family:"Calibri",sans-serif;color:black"> GSAS-II <<a href="mailto:gsas-ii-bounces@aps.anl.gov">gsas-ii-bounces@aps.anl.gov</a>>
on behalf of Agyeman-Budu, David Nana via GSAS-II <<a href="mailto:gsas-ii@aps.anl.gov">gsas-ii@aps.anl.gov</a>><br>
<b>Sent:</b> Friday, May 21, 2021 3:17 PM<br>
<b>To:</b> <a href="mailto:gsas-ii@aps.anl.gov">gsas-ii@aps.anl.gov</a> <<a href="mailto:gsas-ii@aps.anl.gov">gsas-ii@aps.anl.gov</a>><br>
<b>Subject:</b> [GSAS-II] Calibration of histograms to known peaks</span> <o:p></o:p></p>
<div>
<p class="MsoNormal" style="margin-left:.5in"> <o:p></o:p></p>
</div>
</div>
<div>
<div>
<p class="MsoNormal" style="margin-left:.5in"><span style="font-size:11.0pt;font-family:"Calibri",sans-serif">Hello all,<o:p></o:p></span></p>
</div>
<div>
<p class="MsoNormal" style="margin-left:.5in"><span style="font-size:11.0pt;font-family:"Calibri",sans-serif"> <o:p></o:p></span></p>
</div>
<div>
<p class="MsoNormal" style="margin-left:.5in"><span style="font-size:11.0pt;font-family:"Calibri",sans-serif">I am looking for assistance to calibrate my operando XRD images without using the default calibrants, but with Cu peaks in my data. I found out that
the peaks in the my operando XRD data are shifted, and this is due to the sample-to-detector distance differences between my LaB6 calibration measurement and the operando measurement (the sample cell mount increased the distance away from the detector). Even
though I have a good calibration I cannot apply it correctly to reduce my data. It also seems that choice of calibrants in the calibration controls are limited to what is available in the drop box.
<o:p></o:p></span></p>
</div>
<div>
<p class="MsoNormal" style="margin-left:.5in"><span style="font-size:11.0pt;font-family:"Calibri",sans-serif"> <o:p></o:p></span></p>
</div>
<div>
<p class="MsoNormal" style="margin-left:.5in"><span style="font-size:11.0pt;font-family:"Calibri",sans-serif">Any advice or help on this would be appreciated.<o:p></o:p></span></p>
</div>
<div>
<p class="MsoNormal" style="margin-left:.5in"><span style="font-size:11.0pt;font-family:"Calibri",sans-serif"> <o:p></o:p></span></p>
</div>
<div>
<p class="MsoNormal" style="margin-left:.5in"><span style="font-size:11.0pt;font-family:"Calibri",sans-serif">Thanks,<o:p></o:p></span></p>
</div>
<div>
<p class="MsoNormal" style="margin-left:.5in"><span style="font-size:11.0pt;font-family:"Calibri",sans-serif">David<o:p></o:p></span></p>
</div>
<div>
<p class="MsoNormal" style="margin-left:.5in"><span style="font-size:11.0pt;font-family:"Calibri",sans-serif"> <o:p></o:p></span></p>
</div>
</div>
</div>
</div>
</body>
</html>