[Ifeffit] distinguishing between actual shells and artifacts
Scott Calvin
SCalvin at slc.edu
Wed Jan 14 08:38:20 CST 2009
Hi Hashem,
I doubt they're "artifacts." Much more likely is that they are either
due to multiple-scattering paths, or to sidebands of the single-
scatterers.
During analysis, you don't want to think of the Fourier transform as
being literally a radial distribution function; i.e., features in the
Fourier transform don't have a one to one correspondence with
coordination shells.
--Scott
On Jan 14, 2009, at 8:11 AM, mstiet2 at lsu.edu wrote:
> Dear all,
>
> I am currently fitting first and second shells with Zn-O and Zn-Zn
> paths,respectively. I get second shell features that could be fit
> quite well, but I am not certain if they are actually second shell
> features or possibly artifacts. For some samples I get second shell
> features that I know should not be present. What criteria would you
> use to distinguish between artifacts and actual shells?
>
> Your assistance is appreciated.
>
> Hashem Stietiya
>
> Louisiana State University
>
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