[GSAS-II] Residuals

[Toby, Brian H.]

Emily,

   You can find Rwp (labeled as wR) for each histogram by clicking on each histogram in the data tree. (BTW, Rp does not mean much). Also there are the Bragg R-factors for each phase in the histogram.

   Under the Covariance tree item you can find overall statistics for all histograms. Note that what many people call Chi**2 should actually be called Reduced Chi**2. We list that using the single crystal convention, goodness-of-fit (GOF), which is the square-root of the Reduced Chi**2.

    GSAS-II does produce a .lst file, but it only contains the results for the most recent cycle of refinement — so no LSTVIEW needed; open in your favorite text editor/viewer. The .lst file has way more statistics, most of which I don’t believe in using.

Brian

On Sep 14, 2018, at 7:38 PM, Emily Siska <siskae at unlv.nevada.edu<mailto:siskae at unlv.nevada.edu>> wrote:

I am looking for the GSAS I "list view" in GSAS II. I would like to see my wRp and Rp. Where can I find these?


    Thank you!

    Best Regards,
    Emily Siska

--
Emily Siska

Chemistry Graduate Assistant
Chemistry/HiPSEC

Science and Engineering Building, Room 2173
University of Nevada, Las Vegas
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