On 10/30/2013 11:40 AM, Georges Siddiqi wrote:
Regarding your suggestions, I'm a bit unclear how I can implement this in Artemis. Is this approach similar to one of your papers: http://scitation.aip.org/content/aip/journal/jap/94/1/10.1063/1.1581344 where you relate the nanoparticle coordination number to the bulk coordination number via particle radius? (equation 4)
How can I do this in Artemis when there's other variables such as deltaE, debye-waller factor and delr to worry about?
This is the central problem of EXAFS analysis, or indeed of any non-linear analysis. Artemis reports on uncertainties, correlations, and reduced chi-square specifically so you can figure these things out. Somehow, you have to evaluate whether your fitting model is defensible and whether the results you are getting from your fits are defensible. This has to be done ins the presence of correlations. I talk about this some here: https://speakerdeck.com/bruceravel/advanced-topics-in-exafs-analysis I yap on and on using that presentation in the "Fit Evaluation and Fitting multiple structures" talk at http://www.diamond.ac.uk/Home/Events/Past_events/XAS-workshop-2011.html?mgnl... Scott's discussion of these issues in his new book is quite helpful. B -- Bruce Ravel ------------------------------------ bravel@bnl.gov National Institute of Standards and Technology Synchrotron Science Group at NSLS --- Beamlines U7A, X24A, X23A2 Building 535A Upton NY, 11973 Homepage: http://xafs.org/BruceRavel Software: https://github.com/bruceravel