[Ifeffit] Averaging of spectra for multiple configurations in Artemis

Bruce Ravel bravel at bnl.gov
Wed Jun 22 15:53:35 CDT 2011

On Wednesday, June 22, 2011 04:40:53 am Srinivas Tulishetti wrote:
> Dear All,
> I am working on MD - EXAFS for ionic solvation system. I was doing MD-EXAFS
> for multiple configurations. Each configuration gives different spectrum.
> So would like get average of all spectra for those multiple
> configurations. Is it possible to do this in Artemis or iFEFFIT. If it is
> then, please give your valuable suggestions.


The short answer is "yes, such things are possible".  Indeed, many
people have published in this area and you should do some literature

You'll notice that most of the day has passed without anyone offering
an answer to you question.  The problem here is that you have asked a
very open-ended question.  What you wrote is not horribly different
from "Dear All, Can you tell me how to do my research?"  The answer to
that question is "no, it's *your* research".

If, however, you ask a focused question on a specific topic, you are
much more likely to get a useful answer.




 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/

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