<html>
<head>
<meta http-equiv="Content-Type" content="text/html; charset=Windows-1252">
</head>
<body style="word-wrap: break-word; -webkit-nbsp-mode: space; -webkit-line-break: after-white-space;">
Shoaib,
<div><br>
</div>
<div>Let me answer your e-mail as best as I can. </div>
<div><br>
</div>
<div>First of all, you must accurately determine the instrument response terms for the specific instrument that you used and as set up for your experiment to get accurate site/microstress estimates. Remember that you are measuring the extra broadening from
your sample, so you must know what your instrument is doing before you can know what broadening is �extra�. </div>
<div><br>
</div>
<div>
<div>
<div>On Jul 14, 2014, at 11:51 PM, Shoaib Muhammad <<a href="mailto:mshoaibce@gmail.com">mshoaibce@gmail.com</a>> wrote:</div>
<br class="Apple-interchange-newline">
<blockquote type="cite">
<div lang="EN-US" link="#0563C1" vlink="#954F72" style="font-family: Helvetica; font-size: 12px; font-style: normal; font-variant: normal; font-weight: normal; letter-spacing: normal; line-height: normal; orphans: auto; text-align: start; text-indent: 0px; text-transform: none; white-space: normal; widows: auto; word-spacing: 0px; -webkit-text-stroke-width: 0px;">
<div class="WordSection1" style="page: WordSection1;">
<div style="margin: 0in 0in 0.0001pt; font-size: 11pt; font-family: Calibri, sans-serif;">
<span style="font-size: 11pt;">it. Instrument parameter file was supposed to be used in Fullprof and has the following text:</span></div>
<div style="margin: 0in 0in 0.0001pt; font-size: 11pt; font-family: Calibri, sans-serif;">
<o:p></o:p></div>
<div style="margin: 0in 0in 0.0001pt; font-size: 11pt; font-family: Calibri, sans-serif;">
<o:p> </o:p></div>
<div style="margin: 0in 0in 0.0001pt; font-size: 11pt; font-family: Calibri, sans-serif;">
�Myresolution function<o:p></o:p></div>
<div style="margin: 0in 0in 0.0001pt; font-size: 11pt; font-family: Calibri, sans-serif;">
0.000030 0.000050 0.000110 0 0 0�<o:p></o:p></div>
<div style="margin: 0in 0in 0.0001pt; font-size: 11pt; font-family: Calibri, sans-serif;">
</div>
</div>
</div>
</blockquote>
<div><br>
</div>
<div>I am not sure how to convert widths but I know this is covered in "<a>Typical values of Rietveld instrument profile coefficients� by </a>James A. Kaduk and Joel Reid<font size="1">, </font><a href="http://journals.cambridge.org/action/displayJournal?jid=PDJ" title="Powder Diffraction">Powder
Diffraction</a> / Volume 26 / Issue 01 / March 2011, pp 88-93 (<a href="http://dx.doi.org/10.1154/1.3548128">http://dx.doi.org/10.1154/1.3548128</a>). I would still recommend collecting and fitting data with a standard [NIST SRM 660(-,a,b) is a good choice,
but anything with minimal broadening would do] collected under the same conditions as your sample. </div>
<div><br>
</div>
<blockquote type="cite">
<div lang="EN-US" link="#0563C1" vlink="#954F72" style="font-family: Helvetica; font-size: 12px; font-style: normal; font-variant: normal; font-weight: normal; letter-spacing: normal; line-height: normal; orphans: auto; text-align: start; text-indent: 0px; text-transform: none; white-space: normal; widows: auto; word-spacing: 0px; -webkit-text-stroke-width: 0px;">
<div class="WordSection1" style="page: WordSection1;">
<div style="margin: 0in 0in 0.0001pt; font-size: 11pt; font-family: Calibri, sans-serif;">
<o:p> </o:p><span style="font-size: 11pt; text-indent: -0.25in;">1-<span style="font-size: 7pt; font-family: 'Times New Roman';"> </span></span><span style="font-size: 11pt; text-indent: -0.25in;">In old GSAS there were couple of Peak profile function
like �Pseudo Voith� and may be Pearson VII also. How can I select/refine these peak Profile functions in GSAS2?</span></div>
</div>
</div>
</blockquote>
<div><br>
</div>
<div>GSAS-II has only one profile function and it works. It is a Pseudo-Voigt (sum of Gaussian & Lorentzian; a real Voigt is the convolution, BTW). </div>
<div><br>
</div>
<blockquote type="cite">
<div lang="EN-US" link="#0563C1" vlink="#954F72" style="font-family: Helvetica; font-size: 12px; font-style: normal; font-variant: normal; font-weight: normal; letter-spacing: normal; line-height: normal; orphans: auto; text-align: start; text-indent: 0px; text-transform: none; white-space: normal; widows: auto; word-spacing: 0px; -webkit-text-stroke-width: 0px;">
<div class="WordSection1" style="page: WordSection1;">
<div style="margin: 0in 0in 0.0001pt 0.5in; font-size: 11pt; font-family: Calibri, sans-serif; text-indent: -0.25in;">
<o:p></o:p></div>
<div style="margin: 0in 0in 0.0001pt 0.5in; font-size: 11pt; font-family: Calibri, sans-serif; text-indent: -0.25in;">
<span>2-<span style="font-style: normal; font-variant: normal; font-weight: normal; font-size: 7pt; line-height: normal; font-family: 'Times New Roman';"> <span class="Apple-converted-space"> </span></span></span>Is it correct to fix U,V,W, X,Y in GSAS2
in-order to calculate �Crystal Size� and �Microstrain�?</div>
</div>
</div>
</blockquote>
<div><br>
</div>
<div>Yes, you must know the first 5 terms. </div>
<br>
<blockquote type="cite">
<div lang="EN-US" link="#0563C1" vlink="#954F72" style="font-family: Helvetica; font-size: 12px; font-style: normal; font-variant: normal; font-weight: normal; letter-spacing: normal; line-height: normal; orphans: auto; text-align: start; text-indent: 0px; text-transform: none; white-space: normal; widows: auto; word-spacing: 0px; -webkit-text-stroke-width: 0px;">
<div class="WordSection1" style="page: WordSection1;">
<div style="margin: 0in 0in 0.0001pt 0.5in; font-size: 11pt; font-family: Calibri, sans-serif; text-indent: -0.25in;">
<o:p></o:p></div>
<div style="margin: 0in 0in 0.0001pt 0.5in; font-size: 11pt; font-family: Calibri, sans-serif; text-indent: -0.25in;">
<span>3-<span style="font-style: normal; font-variant: normal; font-weight: normal; font-size: 7pt; line-height: normal; font-family: 'Times New Roman';"> <span class="Apple-converted-space"> </span></span></span>Can I refine �Crystal Size� and �Microstrain�
together?</div>
</div>
</div>
</blockquote>
<div><br>
</div>
<div>Yes, if needed and your range of data is large enough. Note that GSAS-II allows for either or both to be anisotropic with either a preferred direction (recommended) or a full expansion. </div>
<br>
<blockquote type="cite">
<div lang="EN-US" link="#0563C1" vlink="#954F72" style="font-family: Helvetica; font-size: 12px; font-style: normal; font-variant: normal; font-weight: normal; letter-spacing: normal; line-height: normal; orphans: auto; text-align: start; text-indent: 0px; text-transform: none; white-space: normal; widows: auto; word-spacing: 0px; -webkit-text-stroke-width: 0px;">
<div class="WordSection1" style="page: WordSection1;">
<div style="margin: 0in 0in 0.0001pt 0.5in; font-size: 11pt; font-family: Calibri, sans-serif; text-indent: -0.25in;">
<o:p></o:p></div>
<div style="margin: 0in 0in 0.0001pt 0.5in; font-size: 11pt; font-family: Calibri, sans-serif; text-indent: -0.25in;">
<span>4-<span style="font-style: normal; font-variant: normal; font-weight: normal; font-size: 7pt; line-height: normal; font-family: 'Times New Roman';"> <span class="Apple-converted-space"> </span></span></span>What does it mean by LGmin check box in
Profile/Data tab?</div>
</div>
</div>
</blockquote>
<div><br>
</div>
<div>Microstrain (aka residual stress) and crystallite broadening is usually Lorentzian (LGmin = 1.0) but can have a Gaussian component (LGmin=0 is pure Gaussian). You can refine this and see if the result is reasonable (0 <= LGmin <= 1) and gives a better
fit. </div>
<div><br>
</div>
<blockquote type="cite">
<div lang="EN-US" link="#0563C1" vlink="#954F72" style="font-family: Helvetica; font-size: 12px; font-style: normal; font-variant: normal; font-weight: normal; letter-spacing: normal; line-height: normal; orphans: auto; text-align: start; text-indent: 0px; text-transform: none; white-space: normal; widows: auto; word-spacing: 0px; -webkit-text-stroke-width: 0px;">
<div class="WordSection1" style="page: WordSection1;">
<div style="margin: 0in 0in 0.0001pt 0.5in; font-size: 11pt; font-family: Calibri, sans-serif; text-indent: -0.25in;">
<o:p></o:p></div>
<div style="margin: 0in 0in 0.0001pt 0.5in; font-size: 11pt; font-family: Calibri, sans-serif; text-indent: -0.25in;">
<span>5-<span style="font-style: normal; font-variant: normal; font-weight: normal; font-size: 7pt; line-height: normal; font-family: 'Times New Roman';"> <span class="Apple-converted-space"> </span></span></span>How to export the strain data to plot the
image? I selected Mustrain plot type, I can see the preview in plot window but can�t export data. If Mustrain is selected and I run the refinement, GSAS2 quits and I can�t open this file again. It always say �Python stopped working�.</div>
</div>
</div>
</blockquote>
<div><br>
</div>
<div>The strain data are the coefficients you get, but you should be able to export the plot if you want. Please provide a lot more details on your computer and exactly what you are doing, as well as a GPX file if you want us to debug this. </div>
<div><br>
</div>
<div>Brian</div>
<div><br>
</div>
</div>
</div>
<br>
<br>
<br>
</body>
</html>