<table cellspacing="0" cellpadding="0" border="0" ><tr><td valign="top" style="font: inherit;"><DIV>Thanks Shelly,</DIV>
<DIV> </DIV>
<DIV>now atoms is running beautifully!!!</DIV>
<DIV> </DIV>
<DIV>Elsa</DIV>
<DIV> </DIV>
<DIV><BR>--- El <B>sáb, 2/10/10, ifeffit-request@millenia.cars.aps.anl.gov <I><ifeffit-request@millenia.cars.aps.anl.gov></I></B> escribió:<BR></DIV>
<BLOCKQUOTE style="PADDING-LEFT: 5px; MARGIN-LEFT: 5px; BORDER-LEFT: rgb(16,16,255) 2px solid"><BR>De: ifeffit-request@millenia.cars.aps.anl.gov <ifeffit-request@millenia.cars.aps.anl.gov><BR>Asunto: Ifeffit Digest, Vol 92, Issue 1<BR>Para: ifeffit@millenia.cars.aps.anl.gov<BR>Fecha: sábado, 2 de octubre, 2010 14:00<BR><BR>
<DIV class=plainMail>Send Ifeffit mailing list submissions to<BR>    <A href="http://es.mc278.mail.yahoo.com/mc/compose?to=ifeffit@millenia.cars.aps.anl.gov" ymailto="mailto:ifeffit@millenia.cars.aps.anl.gov">ifeffit@millenia.cars.aps.anl.gov</A><BR><BR>To subscribe or unsubscribe via the World Wide Web, visit<BR>    <A href="http://millenia.cars.aps.anl.gov/mailman/listinfo/ifeffit" target=_blank>http://millenia.cars.aps.anl.gov/mailman/listinfo/ifeffit</A><BR>or, via email, send a message with subject or body 'help' to<BR>    <A href="http://es.mc278.mail.yahoo.com/mc/compose?to=ifeffit-request@millenia.cars.aps.anl.gov" ymailto="mailto:ifeffit-request@millenia.cars.aps.anl.gov">ifeffit-request@millenia.cars.aps.anl.gov</A><BR><BR>You can reach the person managing the list at<BR>    <A href="http://es.mc278.mail.yahoo.com/mc/compose?to=ifeffit-owner@millenia.cars.aps.anl.gov"
 ymailto="mailto:ifeffit-owner@millenia.cars.aps.anl.gov">ifeffit-owner@millenia.cars.aps.anl.gov</A><BR><BR>When replying, please edit your Subject line so it is more specific<BR>than "Re: Contents of Ifeffit digest..."<BR><BR><BR>Today's Topics:<BR><BR>   1. Incorrect distances obtaines from Scorodite CIF file (Elsa Sileo)<BR>   2. Re: Incorrect distances obtaines from Scorodite CIF file<BR>      (Shelly Kelly)<BR><BR><BR>----------------------------------------------------------------------<BR><BR>Message: 1<BR>Date: Fri, 1 Oct 2010 17:06:28 +0000 (GMT)<BR>From: Elsa Sileo <<A href="http://es.mc278.mail.yahoo.com/mc/compose?to=e_sileo@yahoo.es" ymailto="mailto:e_sileo@yahoo.es">e_sileo@yahoo.es</A>><BR>To: <A href="http://es.mc278.mail.yahoo.com/mc/compose?to=ifeffit@millenia.cars.aps.anl.gov" ymailto="mailto:ifeffit@millenia.cars.aps.anl.gov">ifeffit@millenia.cars.aps.anl.gov</A><BR>Subject:
 [Ifeffit] Incorrect distances obtaines from Scorodite CIF<BR>    file<BR>Message-ID: <<A href="http://es.mc278.mail.yahoo.com/mc/compose?to=957578.81901.qm@web27807.mail.ukl.yahoo.com" ymailto="mailto:957578.81901.qm@web27807.mail.ukl.yahoo.com">957578.81901.qm@web27807.mail.ukl.yahoo.com</A>><BR>Content-Type: text/plain; charset="iso-8859-1"<BR><BR>Dear Shelly, thanks?for your answer to the Eo aligment.<BR>Now I am attaching the the scorodite CIF?file because I get incorrect As-Fe distances when I use it to obtain the feff path.<BR>I hope someone has the answer,<BR>?<BR>Elsa<BR>?<BR><BR><BR>      <BR>-------------- next part --------------<BR>An HTML attachment was scrubbed...<BR>URL: <<A href="http://millenia.cars.aps.anl.gov/pipermail/ifeffit/attachments/20101001/09162041/attachment.html"
 target=_blank>http://millenia.cars.aps.anl.gov/pipermail/ifeffit/attachments/20101001/09162041/attachment.html</A>><BR>-------------- next part --------------<BR>A non-text attachment was scrubbed...<BR>Name: SCORODIT.CIF<BR>Type: application/octet-stream<BR>Size: 2671 bytes<BR>Desc: not available<BR>URL: <<A href="http://millenia.cars.aps.anl.gov/pipermail/ifeffit/attachments/20101001/09162041/attachment-0001.obj" target=_blank>http://millenia.cars.aps.anl.gov/pipermail/ifeffit/attachments/20101001/09162041/attachment-0001.obj</A>><BR><BR>------------------------------<BR><BR>Message: 2<BR>Date: Fri, 1 Oct 2010 15:39:16 -0500<BR>From: Shelly Kelly <<A href="http://es.mc278.mail.yahoo.com/mc/compose?to=dr.sdkelly@gmail.com" ymailto="mailto:dr.sdkelly@gmail.com">dr.sdkelly@gmail.com</A>><BR>To: XAFS Analysis using Ifeffit <<A href="http://es.mc278.mail.yahoo.com/mc/compose?to=ifeffit@millenia.cars.aps.anl.gov"
 ymailto="mailto:ifeffit@millenia.cars.aps.anl.gov">ifeffit@millenia.cars.aps.anl.gov</A>><BR>Subject: Re: [Ifeffit] Incorrect distances obtaines from Scorodite CIF<BR>    file<BR>Message-ID:<BR>    <AANLkTinissMLx8GE6vM4LrdvK9X=n-qsnMe4u8k+<A href="http://es.mc278.mail.yahoo.com/mc/compose?to=m-vn@mail.gmail.com" ymailto="mailto:m-vn@mail.gmail.com">m-vn@mail.gmail.com</A>><BR>Content-Type: text/plain; charset="iso-8859-1"<BR><BR>Hi Elsa:<BR><BR>If you open the scorodit.cif file you will find that the space group is "P c<BR>a b". When you read the file into Artemis the space group gets scrambled<BR>up.  If you fix the space group on the atoms page, it will work.<BR><BR>Shelly<BR><BR>On Fri, Oct 1, 2010 at 12:06 PM, Elsa Sileo <<A href="http://es.mc278.mail.yahoo.com/mc/compose?to=e_sileo@yahoo.es" ymailto="mailto:e_sileo@yahoo.es">e_sileo@yahoo.es</A>> wrote:<BR><BR>> Dear Shelly, thanks for your
 answer to the Eo aligment.<BR>> Now I am attaching the the scorodite CIF file because I get incorrect As-Fe<BR>> distances when I use it to obtain the feff path.<BR>> I hope someone has the answer,<BR>><BR>> Elsa<BR>><BR>><BR>><BR>> _______________________________________________<BR>> Ifeffit mailing list<BR>> <A href="http://es.mc278.mail.yahoo.com/mc/compose?to=Ifeffit@millenia.cars.aps.anl.gov" ymailto="mailto:Ifeffit@millenia.cars.aps.anl.gov">Ifeffit@millenia.cars.aps.anl.gov</A><BR>> <A href="http://millenia.cars.aps.anl.gov/mailman/listinfo/ifeffit" target=_blank>http://millenia.cars.aps.anl.gov/mailman/listinfo/ifeffit</A><BR>><BR>><BR>-------------- next part --------------<BR>An HTML attachment was scrubbed...<BR>URL: <<A href="http://millenia.cars.aps.anl.gov/pipermail/ifeffit/attachments/20101001/57efe1e3/attachment-0001.htm"
 target=_blank>http://millenia.cars.aps.anl.gov/pipermail/ifeffit/attachments/20101001/57efe1e3/attachment-0001.htm</A>><BR><BR>------------------------------<BR><BR>_______________________________________________<BR>Ifeffit mailing list<BR><A href="http://es.mc278.mail.yahoo.com/mc/compose?to=Ifeffit@millenia.cars.aps.anl.gov" ymailto="mailto:Ifeffit@millenia.cars.aps.anl.gov">Ifeffit@millenia.cars.aps.anl.gov</A><BR><A href="http://millenia.cars.aps.anl.gov/mailman/listinfo/ifeffit" target=_blank>http://millenia.cars.aps.anl.gov/mailman/listinfo/ifeffit</A><BR><BR><BR>End of Ifeffit Digest, Vol 92, Issue 1<BR>**************************************<BR><BR>t</DIV></BLOCKQUOTE></td></tr></table><br>