Re: [Ifeffit] How to distinguish whether the coordination element is heavy or light

2014-07-07 Thread Matt Newville
Hi Zhan, On Mon, Jul 7, 2014 at 3:40 AM, ZHAN Fei wrote: > Hi Matti, > Thanks for your attention and patience. > The back fourier transform of the specific peak (use window)of Chi(R) > gives the amplitude,donated by amp_bft。As in previous mails,I ask whether > the compare the amp_bft and the

Re: [Ifeffit] How to distinguish whether the coordination element is heavy or light

2014-07-07 Thread ZHAN Fei
ceerly, Zhanfei -原始邮件- 发件人: "Matt Newville" 发送时间: 2014年7月7日 星期一 收件人: "XAFS Analysis using Ifeffit" 抄送: 主题: Re: [Ifeffit] How to distinguish whether the coordination element is heavy or light Hi Zhanfei, Bruce, Scott, Sorry for jumping in to this conversation a bi

Re: [Ifeffit] How to distinguish whether the coordination element is heavy or light

2014-07-06 Thread Matt Newville
Hi Zhanfei, Bruce, Scott, Sorry for jumping in to this conversation a bit late. Like Bruce said, there is no magic trick for determining whether a part of the R-space spectrum comes from one or more scatterers. And while XAFS is sensitive to Z, the sensitivity is weak. Because it's XAFS School

Re: [Ifeffit] How to distinguish whether the coordination element is heavy or light

2014-07-04 Thread Bruce Ravel
On 07/04/2014 09:27 AM, Scott Calvin wrote: But some people (Joe Woicik comes to mind) have pointed out that sometimes you do know what bond length would correspond to which Z. As an example, you might be trying to determine which of two possible known structures is found in a nanoparticulate sam

Re: [Ifeffit] How to distinguish whether the coordination element is heavy or light

2014-07-04 Thread Scott Calvin
Hi Zhanfei, A few more words to add to Bruce's answer on the +/- 5 "rule." It refers to cases where the bond length is treated as a free parameter. There's a gradual change of phase shift due to scattering with Z which looks a bit like a change in bond length. So if you're fitting bond length,

Re: [Ifeffit] How to distinguish whether the coordination element is heavy or light

2014-07-04 Thread Bruce Ravel
On 07/04/2014 03:51 AM, ZHAN Fei wrote: In the picture you recommended,it says "The variations in functional form allow Z to be determined (±5or so) from analysis of the EXAFS".But I don't find any publication use it. Hi Zhanfei, The figure I referred you to was a plot of the scattering amplit

Re: [Ifeffit] How to distinguish whether the coordination element is heavy or light

2014-07-02 Thread Bruce Ravel
On 07/02/2014 01:06 PM, ZHAN Fei wrote: Dear all, when I try to solve my question{*[Ifeffit] path contribution to fit in low R-space position, but the fit bond length is much longer than that*},I find a method from Prof.Calvin to distinguish whether coordination shell is composed by light or hea

[Ifeffit] How to distinguish whether the coordination element is heavy or light

2014-07-02 Thread ZHAN Fei
Dear all, when I try to solve my question{[Ifeffit] path contribution to fit in low R-space position, but the fit bond length is much longer than that},I find a method from Prof.Calvin to distinguish whether coordination shell is composed by light or heavy element: http://millenia.cars.aps.an