<div dir="ltr">Dear Myrsini,<div>After a recent request from our side, Bob implemented it, and it is possible to perform sequential LeBail fits, you need to update to the latest version of GSAS-II where it is implemented.</div><div>The procedure is the same as for the sequential Rietveld refinement (as far as I have observed), except that you need to start with a proper LeBail fit for the first pattern and then do the rest of the sequential refinement setup.</div><div>Depending on your system a sequential LeBail may be a lot less stable than a sequential Rietveld, especially if peak splitting occurs, so you will need to be more patient than usual.</div><div>Good luck</div><div>Leo</div></div><div id="DAB4FAD8-2DD7-40BB-A1B8-4E2AA1F9FDF2"><br> <table style="border-top:1px solid #d3d4de">
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<a href="#DAB4FAD8-2DD7-40BB-A1B8-4E2AA1F9FDF2" width="1" height="1"></a></div><br><div class="gmail_quote"><div dir="ltr" class="gmail_attr">El vie, 10 dic 2021 a las 14:10, Myrsini K. via GSAS-II (<<a href="mailto:gsas-ii@aps.anl.gov">gsas-ii@aps.anl.gov</a>>) escribió:<br></div><blockquote class="gmail_quote" style="margin:0px 0px 0px 0.8ex;border-left:1px solid rgb(204,204,204);padding-left:1ex"><div lang="EN-US" style="overflow-wrap: break-word;"><div class="gmail-m_-6755290685071335018WordSection1"><p class="MsoNormal"><span class="gmail-m_-6755290685071335018DefaultFontHxMailStyle">Dear GSAS experts,<u></u><u></u></span></p><p class="MsoNormal"><span class="gmail-m_-6755290685071335018DefaultFontHxMailStyle"><u></u> <u></u></span></p><p class="MsoNormal"><span class="gmail-m_-6755290685071335018DefaultFontHxMailStyle">I hope my e-mail finds you well!<u></u><u></u></span></p><p class="MsoNormal"><span class="gmail-m_-6755290685071335018DefaultFontHxMailStyle"><u></u> <u></u></span></p><p class="MsoNormal"><span class="gmail-m_-6755290685071335018DefaultFontHxMailStyle">I am bothering if there is a possibility to make a sequential LeBail refinement in GSAS-II, to see the evolution of the lattice parameters with the Temperature. If yes, what are the steps I should follow for a proper refinement? (I have already check the GSAS tutorial but in my case I have not the X-coordinates to make a Rietveld-sequential refinement).<u></u><u></u></span></p><p class="MsoNormal"><span class="gmail-m_-6755290685071335018DefaultFontHxMailStyle"><u></u> <u></u></span></p><p class="MsoNormal"><span class="gmail-m_-6755290685071335018DefaultFontHxMailStyle">Thank you a lot in advance!<u></u><u></u></span></p><p class="MsoNormal"><span class="gmail-m_-6755290685071335018DefaultFontHxMailStyle"><u></u> <u></u></span></p><p class="MsoNormal">Best regards,<u></u><u></u></p><p class="MsoNormal">KAITATZI Myrsini<u></u><u></u></p><p class="MsoNormal"><span style="font-size:10pt;color:black">----------------------------------------------------------<u></u><u></u></span></p><p class="MsoNormal"><span style="font-size:10pt;color:black">PhD Candidate,<u></u><u></u></span></p><p class="MsoNormal"><span style="font-size:10pt;color:black">Institute of Electronic Structure and Laser (IESL),<u></u><u></u></span></p><p class="MsoNormal"><span style="font-size:10pt;color:black">Foundation for Research and Technology - Hellas (FORTH),<u></u><u></u></span></p><p class="MsoNormal"><span style="font-size:10pt;color:black">100 Nikolaou Plastira str, Vassilika Vouton,<u></u><u></u></span></p><p class="MsoNormal"><span style="font-size:10pt;color:black">700 13 Heraklion, Crete,<u></u><u></u></span></p><p class="MsoNormal"><span style="font-size:10pt;color:black">GREECE<u></u><u></u></span></p><p class="MsoNormal"><span style="font-size:10pt;color:black"><u></u> <u></u></span></p><p class="MsoNormal"><span style="font-size:10pt;color:black">Office Phone (+30) 2810 391874 <u></u><u></u></span></p><p class="MsoNormal"><span style="font-size:10pt;color:black">Lab Phone (+30) 2810 391349<u></u><u></u></span></p><p class="MsoNormal"><span style="font-size:10pt;color:black">Mobile (+30) 6945084322<u></u><u></u></span></p><p class="MsoNormal"><span style="font-size:10pt;color:black"><u></u> <u></u></span></p><p class="MsoNormal"><a href="https://www.iesl.forth.gr/en/research/magnetic-materials" target="_blank"><span style="font-size:10pt;color:blue">Quantum Materials & Magnetism Lab</span></a><u><span style="color:blue"><u></u><u></u></span></u></p><p class="MsoNormal"><span style="font-size:10pt;color:black">----------------------------------------------------------</span><span style="color:black"><u></u><u></u></span></p><p class="MsoNormal"><u></u> <u></u></p><p class="MsoNormal"><span class="gmail-m_-6755290685071335018DefaultFontHxMailStyle"><u></u> <u></u></span></p></div></div>_______________________________________________<br>
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