[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- 

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.


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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