On Friday, September 16, 2011 05:48:19 pm George Sterbinsky wrote:

Hello,

When fitting data in Artemis with the "other k weight" box checked and the kw = 1, 2, or 3 boxes unchecked, I find that the log file lists "k-weight = 1, kw", where kw is the value I entered into the "other k weight" text box. If I choose 0 as the other k weight, then the log file lists "k-weight = 1". Is it possible to run a fit in Artemis using only a k-weight of something other than 1, 2, or 3?

George, You have found two problems in the old Artemis, both have to do with the reporting in the log file but *not* with the fit. When I do a fit in Artemis with the k=2 and other buttons ticked and with the value of the other k-weight set to 0, the log file reports the k-weight incorrectly as being only 2. However, the call to the "feffit" in the Ifeffit buffer looks like this: feffit(1-14, group=data0_fit, chi=data0.chi, k=data0.k, kweight=2.00, kweight=0.00, rmin=1.427, rmax=5.065, kmin=2, kmax=18.338, dk=1, kwindow=kaiser-bessel, fit_space=R, do_bkg=no, data_set=1, data_total=1) As you can see, both values of k-weight were used even though only kw=2 was reported. With only the other button checked, the log file reports: k-weight = 1,0.5 however the Ifeffit buffer reports: feffit(1-14, group=data0_fit, chi=data0.chi, k=data0.k, kweight=0.50, rmin=1.427, rmax=5.065, kmin=2, kmax=18.338, dk=1, kwindow=kaiser-bessel, fit_space=R, do_bkg=no, data_set=1, data_total=1) i.e. the fit was performed with only the other k-weight. So the answer to your question is "yes, but it will be reported incorrectly in the log file." I have not explored this issue in the new Artemis, but if is exists it will be fixed before the next Demeter release. Regards, 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/ifeffit/Demeter