[Ifeffit] (no subject)

[Bruce Ravel]

On Wednesday 11 March 2009 09:40:31 am Michael Jacob wrote:
> I measured Fe(II) edge EXAFS data for my protein that has two iron sites
> (Fe-Fe distance ~5A). My question is how to fit the model with the data?
> Can I discard the contribution of multiple scattering effects to the
> fitting? One most important information that I want to obtain is on the
> Fe-Fe distance. Is it enough to conclude from the raw data FT that the
> Fe-Fe distance
> in my protein sample has been changed in comparison to the Fe-Fe distance
> in the model (created with Feff using the crystal structure coordinates)? I
> try fitting using arthemis but got bad and weird results. is there any
> manual or step-by step guide that I can learn how to fit model of two metal
> sites to my data?

There is not a manual -- that is one of the great shortcomings of
Artemis compared to Athena.  There is, however, a LOT of useful
information among the Tutorials and Workshops pages at
http://xafs.org.  I don't know if you will find precisely what you are
looking for, but hopefully you will find enough that is relevant to
get you started.

Good luck,
B




-- 

 Bruce Ravel  ------------------------------------ bravel at bnl.gov

 National Institute of Standards and Technology
 Synchrotron Methods Group at NSLS --- Beamlines U7A, X24A, X23A2
 Building 535A
 Upton NY, 11973

 My homepage:    http://xafs.org/BruceRavel
 EXAFS software: http://cars9.uchicago.edu/~ravel/software/exafs/