[Ifeffit] k-range question & R-factor

[Christopher Patridge]

Hello Users,

I was looking for an opinion about the chi(k) signal in a set of data I 
am analyzing.  Brief background, this is a set of in-situ XAS data 
collected at the Fe K edge from a working electrochemical cell at a 
range of potentials during charge; I did not collect the data. I suspect 
the feature at ~ 8 angstroms-1, although present in all the spectra is 
noise or glitch and wondered if I am being overly cautious?

My conservative range ( k = 2-7 and R = 1-2) really constrains the model 
Nidp = 3.31.  Luckily, multiple datasets ( 8 ) to the rescue to give me 
some flexibility.  In a multiple dataset fitting, is the R-factor of the 
whole set just the average or total mismatch across all the datasets or 
it calculated another way?

Working towards happiness,

Chris Patridge

-- 
********************************
Christopher J. Patridge, PhD
NRC Post Doctoral Research Associate
Naval Research Laboratory
Washington, DC 20375
Cell: 315-529-0501

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