Dear all:<div>&nbsp;When I get a wrong fit about Mo-O and Mo-S fit of first two shells.</div><div><div>&nbsp; ssO &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; &nbsp;= &nbsp; 0.00729812 &nbsp; &nbsp;# +/- &nbsp; 0.00961052 &nbsp; &nbsp; [0.00300]</div><div>&nbsp; delrO &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; &nbsp;= &nbsp;-0.02968655 &nbsp; &nbsp;# +/- &nbsp; 0.03378397 &nbsp; &nbsp; [-0.05765]</div><div>&nbsp; enot &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; = &nbsp;-5.30590978 &nbsp; &nbsp;# +/- &nbsp; 7.08310376 &nbsp; &nbsp; [-16.71557]</div><div>&nbsp; NO &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; = &nbsp;-1.88450657 &nbsp; &nbsp;# +/- &nbsp; 1.59438947 &nbsp; &nbsp; [0.5]</div><div>&nbsp; NS &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; = &nbsp; 1.71281926 &nbsp; &nbsp;# +/- &nbsp; 1.08552732 &nbsp; &nbsp; [1.00000]</div><div>&nbsp; delrS &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; &nbsp;= &nbsp; 0.00418341 &nbsp; &nbsp;# +/- &nbsp; 0.04904499 &nbsp; &nbsp; [-0.05647]</div><div>&nbsp; ssS &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; &nbsp;= &nbsp; 0.00329415 &nbsp; &nbsp;# +/- &nbsp; 0.00688491 &nbsp; &nbsp; [0.00300]</div><div><div>&nbsp;name &nbsp; &nbsp; &nbsp; &nbsp; N &nbsp; &nbsp; &nbsp; S02 &nbsp; &nbsp; sigma^2 &nbsp; e0 &nbsp; &nbsp; delr &nbsp; &nbsp; Reff &nbsp; &nbsp; R</div><div>==========================================================================</div><div>&nbsp;S1.1 &nbsp; &nbsp; &nbsp; 1.000 &nbsp; 1.456 &nbsp; 0.00329 &nbsp;-5.306 &nbsp;0.00418 &nbsp;2.41350 &nbsp;2.41768</div><div>&nbsp;O7.1 &nbsp; &nbsp; &nbsp; 1.000 &nbsp;-1.602 &nbsp; 0.00730 &nbsp;-5.306 -0.02969 &nbsp;1.54660 &nbsp;1.51691</div><div><br></div><div>&nbsp; name &nbsp; &nbsp; &nbsp; &nbsp; ei &nbsp; &nbsp; &nbsp; third &nbsp; &nbsp; fourth</div><div>==========================================</div><div>&nbsp;S1.1 &nbsp; &nbsp; &nbsp;0.00000 &nbsp; 0.00000 &nbsp; 0.00000</div><div>&nbsp;O7.1 &nbsp; &nbsp; &nbsp;0.00000 &nbsp; 0.00000 &nbsp; 0.00000</div><div><br></div></div><div>ssO with a negative coordiantion number NO.I searched the mailist there is only information about negative ss&nbsp;</div>http://www.mail-archive.com/ifeffit%40millenia.cars.aps.anl.gov/msg02326.html(negative ss to&nbsp;<span style="color: rgb(153, 51, 0); font-family: 幼圆; font-size: 10.5pt; letter-spacing: 0pt; line-height: 1.2;">compensate small amp</span><span style="line-height: 1.2;">).but here I even get a negative amp.What's wrong can cause a negative amp?</span></div><div><span style="line-height: 1.2;">Thanks for help.</span></div><div><span style="line-height: 1.2;">Sincerely,</span></div><div><br><blockquote name="replyContent" style="padding-left:5px;margin-left:5px;border-left:#b6b6b6 2px solid;margin-right:0">-----原始邮件-----<br>
<b>发件人:</b> "ZHAN Fei" &lt;zhanfei@ihep.ac.cn&gt;<br>
<b>发送时间:</b> 2014年11月9日 星期日<br>
<b>收件人:</b> ifeffit@millenia.cars.aps.anl.gov<br>
<b>抄送:</b> <br>
<b>主题:</b> [Ifeffit] too small bond length in R space<br><br><div>Dear all：</div><div>&nbsp; I encounter a problem of exafs fit in an example of Mo which have Mo-O Mo-S Mo-Mo bond.The problem is that the Mo-O peak in R space has too small bond length (less than 1.4A(+0.5A for phase correction) ).Because when 1.2&gt;rbkg&gt;0.68 there is little change in spectrum of R and k space,and when I increase the value of rmin of forward Fourier transform the peak changes little,so I think it's not a noise.But when I try to fit it use the 1.35A path of Mo-O,I can't fit it well.</div><div>Could you give me some advise about fit too small bond length,or recommend papers of similar situation?</div><div>picture of R space is attached.</div><div>Thanks</div><div>Sincerely,</div><div>zhanfei</div><div>ihep of China</div><div><img alt="R space of spectrum" src="cid:6053d31b$1$14994d49db6$Coremail$zhanfei$ihep.ac.cn"><br></div><div><br></div><div><br></div><div><br></div><div><br></div><div><br></div><br><div><br></div></blockquote></div>