<html><head><meta http-equiv="Content-Type" content="text/html; charset=iso-8859-1" /></head><body style="word-wrap: break-word; -webkit-nbsp-mode: space; -webkit-line-break: after-white-space; ">Well, it might be a silly comment but if you have some older prm file you can always edit it by hand in any text editor. The format is very easy to understand. It is not as nice and easy as in gsas but if you do not rubbish the formating you can quickly create any configuration you desire. <br>
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Good luck :)<br>
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Andrzej<br>
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"Toby, Brian H." <toby@anl.gov> schrieb:<blockquote class="gmail_quote" style="margin: 0pt 0pt 0pt 0.8ex; border-left: 1px solid rgb(204, 204, 204); padding-left: 1ex;">
<div>Monika, </div>
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<div> I will need to check if a roughness parameter has been put into the code yet. I think not. </div>
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<div> GSAS-II is much more stable than GSAS and does not have damping because it is not needed. </div>
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<div> There are a number of tutorials that can be found in the help menu or here:
<a href="https://subversion.xray.aps.anl.gov/trac/pyGSAS">https://subversion.xray.aps.anl.gov/trac/pyGSAS</a></div>
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<div> GSAS-II can read GSAS instrument parameter files. It does offer a more straightforward format, but I don't think that has been documented yet. You can write parameters out with that format though. Note that when asked to supply a instrument parameter
file, one can press "Cancel" and then select from a default. </div>
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</div>
<div> One can export results in various formats from the menu with that name and how to write code to support other formats is documented. </div>
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<div> There is a need for much more documentation, but at present Bob and I are putting much more effort into writing more code. Someday we will catch up, but volunteers are much welcome. </div>
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<div>Brian</div>
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</div>
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<div>
<div>On Dec 11, 2013, at 10:21 AM, Monica Bolívar wrote:</div>
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<p class="MsoNormal" style="text-align:left" align="left"><font><span style="font-weight:normal;font-style:normal" lang="EN-US">Dear Colleagues,</span></font></p>
<p class="MsoNormal" style="text-align:left" align="left"><font><span style="font-weight:normal;font-style:normal" lang="EN-US">I am new in GSAS II and now I start with some refinements in materials previously refined in GSAS. I noticed that there are many
differences between GSAS and GSAS II results. Mainly, because some parameters that I refined in GSAS I could not find in GSAS II. For instance, I did not see how to refine roughness. Another question comes from the possibility of acting with damping factors.
</span></font></p>
<p class="MsoNormal" style="text-align:left" align="left"><font><span style="font-weight:normal;font-style:normal" lang="EN-US"><br />
</span></font></p>
<p class="MsoNormal" style="text-align:left" align="left"><font><span style="font-weight:normal;font-style:normal" lang="EN-US">I really have many other questions like how to create the instrument file, how to export the data results, how to identify the hkl
indices in the plot, etc.. However, a tutorial help to resolved some of these concerns. Someone knows is there a tutorial for GSASII?</span></font></p>
<p class="MsoNormal" style="text-align:left" align="left"><font><span style="font-weight:normal;font-style:normal" lang="EN-US"><br />
</span></font></p>
<p class="MsoNormal" style="text-align:left" align="left"><font><span style="font-weight:normal;font-style:normal" lang="EN-US">I would appreciate any help for a better understanding and use of GSASII.
</span></font></p>
<p class="MsoNormal" style="text-align:left" align="left"><font><span style="font-weight:normal;font-style:normal" lang="EN-US"><br />
</span></font></p>
<p class="MsoNormal" style="text-align:left" align="left"><font><span style="font-weight:normal;font-style:normal" lang="EN-US">Thanks in advance,</span></font></p>
<p class="MsoNormal" style="text-align:left" align="left"><span style="font-size:12pt;font-weight:normal;font-style:normal" lang="EN-US"><br />
</span></p>
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<div>Mónica<br />
<br />
<br />
</div>
<div>-- <br />
Mónica Esperanza Bolívar Guarín<br />
Departamento de Física - ICEx, UFMG<br />
Laboratório de Cristalografia<br />
Av. Antônio Carlos 6627, Pampulha<br />
Caixa Postal 702<br />
Belo Horizonte, MG<br />
30123-970<br />
Brasil </div>
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<p style="margin-top: 2.5em; margin-bottom: 1em; border-bottom: 1px solid #000"></p><pre class="k9mail"><hr /><br />GSAS-II mailing list<br />GSAS-II@mailman.aps.anl.gov<br /><a href="https://mailman.aps.anl.gov/mailman/listinfo/gsas-ii">https://mailman.aps.anl.gov/mailman/listinfo/gsas-ii</a><br /></pre></blockquote></div><br>
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