[Ifeffit] fitting a specific k range

Chris Patridge patridge at buffalo.edu
Thu Dec 5 12:28:18 CST 2013


Without those friendly warnings (reminders), beginners would likely fall down several rabbit holes before understanding many of the important steps necessary to get meaningful answers in EXAFS.  
I know I would have.

Dr. Christopher Patridge
Assistant Professor
Department of Math and Natural Sciences 
D'youville College
Contact: 315-529-0501

On Dec 5, 2013, at 1:19 PM, Bruce Ravel <bravel at bnl.gov> wrote:

> On 12/05/2013 12:18 PM, Scott Calvin wrote:
>> While I defend that principle as a very important one, I'm not
>> claiming it applies in Matt's case--it probably doesn't. To reproduce
>> features at high-R, it IS necessary to have a model (i.e. paths) that
>> cover the high-R contribution, and it sounds like Matt does not have
>> those paths included in his model. But it's not necessary to FIT up
>> to high R.
> It doesn't apply.  Matt filtered his data.  Matt used paths that only
> include Fourier components within the filtered band.  To suggest that
> it may somehow be reasonable that the fit could turn out other than
> how it did runs a real risk of misleading this fellow who is,
> apparently, a newcomer to EXAFS analysis.
>> P.S. My least favorite warning that Artemis provides is the one that
>> tells you that you're including paths outside the fitting region, for
>> just this reason. It's easy enough to change the preferences so that
>> Artemis doesn't give that warning, and it's usually one of the first
>> things I have my students do when they're first learning to fit.
> OK.  Whatever.  Instead of complaining about this, perhaps you should
> consider hosannas of gratitude that I make it possible, easy even, to
> accommodate preferences different from my own.
> B
> -- 
> Bruce Ravel  ------------------------------------ bravel at bnl.gov
> National Institute of Standards and Technology
> Synchrotron Science Group at NSLS --- Beamlines U7A, X24A, X23A2
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