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</o:shapelayout></xml><![endif]--></head><body lang=EN-GB link=blue vlink=purple><div class=WordSection1><p class=MsoNormal><span style='mso-fareast-language:EN-US'>As far you know, the precision of the crystal size calculated by Xrpd is lower than other method. <o:p></o:p></span></p><p class=MsoNormal><span style='mso-fareast-language:EN-US'>Now I am not in my office so I do not have the exact reference, if I remember right there is something in Powder Diffraction: Theory and Practice. <o:p></o:p></span></p><p class=MsoNormal><span style='mso-fareast-language:EN-US'><o:p> </o:p></span></p><p class=MsoNormal><b><span lang=EN-US>From:</span></b><span lang=EN-US> gsas-ii-bounces@aps.anl.gov <gsas-ii-bounces@aps.anl.gov> <b>On Behalf Of </b>Victor Zenou<br><b>Sent:</b> Thursday, August 23, 2018 8:42 PM<br><b>To:</b> gsas-ii@aps.anl.gov<br><b>Subject:</b> [GSAS-II] Over estimation of crystallite size<o:p></o:p></span></p><p class=MsoNormal><o:p> </o:p></p><div><p class=MsoNormal>Dear everyone. <o:p></o:p></p><div><p class=MsoNormal>I used GSAS-II to estimate crystallite size from lab PXRD. The sample was annealed anatase.<o:p></o:p></p></div><div><p class=MsoNormal>Before annealing all results (GSAS-II, Debye function analysis (DFA), GSAS and HRTEM) were the same, about 5nm.<o:p></o:p></p></div><div><p class=MsoNormal>After annealing GSAS-II gave 19/21(0.3) nm, while DFA gave 14(5) nm and HRTEM gave 12(3).<o:p></o:p></p></div><div><p class=MsoNormal>Does anyone got the same , what seem to be, over estimation by GSAS-II?<o:p></o:p></p></div><div><p class=MsoNormal>Of course, using standard deviation give not so far results.<o:p></o:p></p></div><div><p class=MsoNormal>Best regards,Victor<o:p></o:p></p></div></div><p class=MsoNormal><o:p> </o:p></p><div><p class=MsoNormal><span lang=HE dir=RTL>בתאריך יום ה׳, 23 באוג׳ 2018, 20:00, מאת</span><span dir=LTR></span><span dir=LTR></span><span lang=HE><span dir=LTR></span><span dir=LTR></span> <span dir=RTL></span><span dir=RTL></span><span dir=RTL><span dir=RTL></span><span dir=RTL></span></span></span><span dir=LTR></span><span dir=LTR></span><span dir=LTR></span><span dir=LTR></span><<a href="mailto:gsas-ii-request@aps.anl.gov">gsas-ii-request@aps.anl.gov</a>>:<o:p></o:p></p></div><p class=MsoNormal>Send GSAS-II mailing list submissions to<br> <a href="mailto:gsas-ii@aps.anl.gov" target="_blank">gsas-ii@aps.anl.gov</a><br><br>To subscribe or unsubscribe via the World Wide Web, visit<br> <a href="https://mailman.aps.anl.gov/mailman/listinfo/gsas-ii" target="_blank">https://mailman.aps.anl.gov/mailman/listinfo/gsas-ii</a><br>or, via email, send a message with subject or body 'help' to<br> <a href="mailto:gsas-ii-request@aps.anl.gov" target="_blank">gsas-ii-request@aps.anl.gov</a><br><br>You can reach the person managing the list at<br> <a href="mailto:gsas-ii-owner@aps.anl.gov" target="_blank">gsas-ii-owner@aps.anl.gov</a><br><br>When replying, please edit your Subject line so it is more specific<br>than "Re: Contents of GSAS-II digest..."<br><br><br>Today's Topics:<br><br> 1. Help with refining instrumental parameters (Emily Siska)<br> 2. Re: Help with refining instrumental parameters (Sergey Ushakov)<br><br><br>----------------------------------------------------------------------<br><br>Message: 1<br>Date: Wed, 22 Aug 2018 10:58:38 -0700<br>From: Emily Siska <<a href="mailto:siskae@unlv.nevada.edu" target="_blank">siskae@unlv.nevada.edu</a>><br>To: <a href="mailto:gsas-ii@aps.anl.gov" target="_blank">gsas-ii@aps.anl.gov</a><br>Subject: [GSAS-II] Help with refining instrumental parameters<br>Message-ID:<br> <CA+xw77uW_ZF-7N3f4UU7kiZFQ-vh42VkZ3MsAXPGj04BM4g=<a href="mailto:7w@mail.gmail.com" target="_blank">7w@mail.gmail.com</a>><br>Content-Type: text/plain; charset="utf-8"<br><br> In GSAS I when there was more than one phase you could refine GU GV, GW<br>and LX, LY for each<br>phase separately. Is that possible in GSAS II? If so how?<br><br>Sorry if you have received this message multiple times - I have been having<br>trouble with the server.<br><br><br>Thank you for your help!<br><br> Best Regards,<br> Emily Siska<br><br><br>-- <br>Emily Siska<br><br>Chemistry Graduate Assistant<br>Chemistry/HiPSEC<br><br>Science and Engineering Building, Room 2173<br>University of Nevada, Las Vegas<br>4505 S. Maryland Pkwy.<br>Las Vegas, NV 89154-4003<br>Office: (702) 894-1478<br>Cell: (818) 642-7718<br>-------------- next part --------------<br>An HTML attachment was scrubbed...<br>URL: <<a href="http://mailman.aps.anl.gov/pipermail/gsas-ii/attachments/20180822/bda1cd13/attachment-0001.html" target="_blank">http://mailman.aps.anl.gov/pipermail/gsas-ii/attachments/20180822/bda1cd13/attachment-0001.html</a>><br><br>------------------------------<br><br>Message: 2<br>Date: Wed, 22 Aug 2018 11:16:49 -0700<br>From: Sergey Ushakov <<a href="mailto:svushakov@ucdavis.edu" target="_blank">svushakov@ucdavis.edu</a>><br>To: <a href="mailto:gsas-ii@aps.anl.gov" target="_blank">gsas-ii@aps.anl.gov</a><br>Subject: Re: [GSAS-II] Help with refining instrumental parameters<br>Message-ID:<br> <CAG1YaUP8=2=<a href="mailto:jyqb5gQFxG4McCRpWV1XzWH%2BPmaJpoH9qJfTyYw@mail.gmail.com" target="_blank">jyqb5gQFxG4McCRpWV1XzWH+PmaJpoH9qJfTyYw@mail.gmail.com</a>><br>Content-Type: text/plain; charset="utf-8"<br><br>In GSAS-2 you refine size and strain for each phase instead. It makes sense<br>since instrument parameters do not vary with phase!<br><br>On Wed, Aug 22, 2018 at 10:58 AM, Emily Siska <<a href="mailto:siskae@unlv.nevada.edu" target="_blank">siskae@unlv.nevada.edu</a>><br>wrote:<br><br>> In GSAS I when there was more than one phase you could refine GU GV, GW<br>> and LX, LY for each<br>> phase separately. Is that possible in GSAS II? If so how?<br>><br>> Sorry if you have received this message multiple times - I have been<br>> having trouble with the server.<br>><br>><br>> Thank you for your help!<br>><br>> Best Regards,<br>> Emily Siska<br>><br>><br>> --<br>> Emily Siska<br>><br>> Chemistry Graduate Assistant<br>> Chemistry/HiPSEC<br>><br>> Science and Engineering Building, Room 2173<br>> University of Nevada, Las Vegas<br>> 4505 S. Maryland Pkwy.<br>> Las Vegas, NV 89154-4003<br>> Office: (702) 894-1478<br>> Cell: (818) 642-7718<br>><br>> _______________________________________________<br>> GSAS-II mailing list<br>> <a href="mailto:GSAS-II@aps.anl.gov" target="_blank">GSAS-II@aps.anl.gov</a><br>> <a href="https://mailman.aps.anl.gov/mailman/listinfo/gsas-ii" target="_blank">https://mailman.aps.anl.gov/mailman/listinfo/gsas-ii</a><br>><br><br><br><br>-- <br>--<br>Sergey Ushakov PhD<br><br>Staff Research Associate<br><br>Peter A Rock Thermochemistry Laboratory and NEAT ORU<br>Rm 4415, Chemistry Annex<br>University of California, Davis<br>Davis, CA 95616<br>phone (530) 902-8185<br>-------------- next part --------------<br>An HTML attachment was scrubbed...<br>URL: <<a href="http://mailman.aps.anl.gov/pipermail/gsas-ii/attachments/20180822/4f04c8cb/attachment-0001.html" target="_blank">http://mailman.aps.anl.gov/pipermail/gsas-ii/attachments/20180822/4f04c8cb/attachment-0001.html</a>><br><br>------------------------------<br><br>_______________________________________________<br>GSAS-II mailing list<br><a href="mailto:GSAS-II@aps.anl.gov" target="_blank">GSAS-II@aps.anl.gov</a><br><a href="https://mailman.aps.anl.gov/mailman/listinfo/gsas-ii" target="_blank">https://mailman.aps.anl.gov/mailman/listinfo/gsas-ii</a><br><br>End of GSAS-II Digest, Vol 174, Issue 1<br>***************************************<o:p></o:p></p></div></body></html>