[Ifeffit] Fitting using Experimental standard

[Scott Calvin]

Hi Fiona,

An experimental standard is a spectrum of a known material (the term  
is also often used for the known material itself, in addition to its  
spectrum). If you use Athena to do a linear combination fit, you are  
most commonly using experimental standards to do it.

A theoretical standard is a theoretically simulated spectrum of some  
structure. Thus, the theoretical standard is not the crystallographic  
data itself, although that data can serve as a basis for generating a  
theoretical standard using software such as FEFF.

--Scott Calvin
Sarah Lawrence College

On Jan 4, 2010, at 7:16 PM, Fiona R. Kizewski wrote:

> Dear all,
> Can somebody please explain to me what is theoretical standard and  
> what is
> experimental standard. My understanding of theoretical standard is the
> crystallographic data. However, it is first time I heard experimental
> standard.
> Thanks