Averaging of spectra for multiple configurations in Artemis
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. Thanking you all. Best, Srinivas Tulishetti
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.
Srinivas, The short answer is "yes, such things are possible". Indeed, many people have published in this area and you should do some literature searching. 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. http://cars9.uchicago.edu/ifeffit/BruceRavel/FormLetters/HelpRequest#Asking_... B -- Bruce Ravel ------------------------------------ bravel@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/
participants (2)
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Bruce Ravel
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Srinivas Tulishetti