Hi Chris,

Might be helpful also to link to the archived thread you're talking about.

http://millenia.cars.aps.anl.gov/pipermail/ifeffit/2006-June/007048.html

Bruce might have to correct me on this, but if I remember right there were individual-data-set R-factor and chi-square calculations at some point, which come not from IFEFFIT but from Bruce's own post-fit calculations, and these eventually were found to be pretty buggy and were dropped.

I don't understand what "the average over the k weights" R factor is; analyzing the same data set with multiple k weights (which is pretty typical) still means a single fit result and a single statistical output in IFEFFIT, as far back as I can remember, anyhow. The discussion about multiple R-factors is for when you're simultaneously fitting multiple data sets (i.e. trying to fit a couple different data sets to some shared or partially shared set of guess variables).

I think the overall residuals and chi-square are the more statistically meaningful values, as they are actually calculated by the same algorithm used to determine the guess variables - they're the quantities IFEFFIT is attempting to reduce. I don't believe I've reported the per-data-set residuals in my final results, as I only treated it as an internal check for myself. (It would be nice to have again, though...)

-Jason

On Thu, Jan 24, 2013 at 10:12 AM, Christopher Patridge <patridge@buffalo.edu> wrote:

I am reviewing some older analysis projects from artemis and just wanted to know which R-factor more accurately describes the misfit? I suspect the average over the k weights values since this was adopted in Demeter?

Thanks,

Chris Patridge

-- ******************************** Christopher J. Patridge, PhD NRC Post Doctoral Research Associate Naval Research Laboratory Washington, DC 20375 Cell: 315-529-0501
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