Name : Fit 102 (arjdv) Description : fit to merge_Co_Ga0.15Co4Sb12 Figure of merit : 102 Time of fit : 2014-08-28T19:06:27 Environment : Demeter 0.9.18 with perl 5.012003 and using Ifeffit 1.2.11d on Windows 8 Interface : Artemis (Wx 0.99) Prepared by : Contact : =*=*=*=*=*=*=*=*=*=*=*=*=*=*=*=*=*=*=*=*=*=*=*=*=*=*=*=*=*=*=*=*=*=*=*=*=*=*= Independent points : 31.1660156 Number of variables : 17 Chi-square : 4855.1094586 Reduced chi-square : 342.7293593 R-factor : 0.0266456 Measurement uncertainty (k) : 0.0007222 Measurement uncertainty (R) : 0.0017191 Number of data sets : 1 Happiness = 87.35/100 color = #F6EC91 An R-factor of 0.02665 gives a penalty of 6.64560. Penalty of 2 : sigma2 for " Sb1.4 " is suspiciously large. Penalty of 2 : sigma2 for " Sb1.1 Sb1.1 " is suspiciously large. Penalty of 2 : sigma2 for " Ga1.1 " is negative. ***** Note: happiness is a semantic parameter and should ***** ***** NEVER be reported in a publication -- NEVER! ***** guess parameters: amp = 0.62612908 # +/- 0.07447453 [1.00000] enot = -2.22915585 # +/- 0.91740694 [-1.97263] ss = 0.00035684 # +/- 0.00105886 [0.00300] ss2 = 0.00548989 # +/- 0.00249812 [0.00300] alpha = -0.00893872 # +/- 0.00283575 [-0.00642] ss3 = 0.00847101 # +/- 0.00654134 [0.00300] ss1 = 0.01741252 # +/- 0.01710780 [0.00300] ss4 = 0.10587548 # +/- 1.36365129 [0.00300] ss5 = 0.00414090 # +/- 0.00501336 [0.00300] ss6 = 0.00539655 # +/- 0.01054992 [0.00300] ss7 = 0.09300107 # +/- 0.40650454 [0.00300] ss8 = 0.00405116 # +/- 0.00375482 [0.00300] ss9 = 0.01144330 # +/- 0.06295943 [0.00300] Nlong = 5.63811438 # +/- 0.16088706 [5] R1 = 2.07875206 # +/- 0.02982666 [2.1] delr_ga2 = -0.00657662 # +/- 0.01562471 [0] ssga2 = -0.01111125 # +/- 0.00190640 [0.003] def parameters: Nshort = 0.36188562 # [6 - Nlong] Correlations between variables: ssga2 & ss --> 0.9421 delr_ga2 & alpha --> 0.8570 alpha & enot --> 0.8492 ss & amp --> 0.8341 ssga2 & amp --> 0.7887 ss6 & ss5 --> 0.7622 ss9 & ss8 --> -0.7587 delr_ga2 & enot --> 0.7302 ssga2 & r1 --> 0.6756 nlong & alpha --> -0.5872 r1 & ss --> 0.5750 ss9 & ss3 --> -0.5692 nlong & enot --> -0.5439 delr_ga2 & nlong --> -0.5281 ss8 & ss3 --> 0.5260 ss4 & enot --> 0.5216 ss1 & ss3 --> 0.4600 r1 & amp --> 0.4544 ss3 & ss2 --> -0.4349 All other correlations below 0.4 ===== Data set >> merge_Co_Ga0.15Co4Sb12 << ==================================== : Athena project = S:\research\Research projects 2013-2014\EXAFS\mergedEXAFSfiles\merge_Co_Ga0.15Co4Sb12.prj, 7 : name = merge_Co_Ga0.15Co4Sb12 : k-range = 3.000 - 12.933 : dk = 1 : k-window = hanning : k-weight = 1,2,3 : R-range = 1 - 6 : dR = 0.0 : R-window = hanning : fitting space = r : background function = no : phase correction = : R-factor by k-weight = 1 -> 0.02601, 2 -> 0.02852, 3 -> 0.02541 name N S02 sigma^2 e0 delr Reff R ====================================================================================== Sb1.1 6.000 0.588 0.00036 -2.229 -0.02260 2.52880 2.50620 Sb1.1 Sb1.1 12.000 0.626 0.00071 -2.229 -0.03794 4.24490 4.20696 Sb1.1 Sb1.1 12.000 0.626 0.00071 -2.229 -0.03921 4.38610 4.34689 Sb1.2 6.000 0.626 0.00549 -2.229 -0.03926 4.39230 4.35304 Sb1.3 6.000 0.626 0.00847 -2.229 -0.03982 4.45470 4.41488 Co1.1 6.000 0.626 0.01741 -2.229 -0.04040 4.51930 4.47890 Sb1.4 6.000 0.626 0.10588 -2.229 -0.05115 5.72200 5.67085 Sb1.5 6.000 0.626 0.00414 -2.229 -0.05196 5.81310 5.76114 Sb1.6 6.000 0.626 0.00540 -2.229 -0.05238 5.86040 5.80802 Sb1.1 Co1.1 12.000 0.626 0.01777 -2.229 -0.04280 4.78840 4.74560 Sb1.1 Sb1.2 12.000 0.626 0.00292 -2.229 -0.04369 4.88750 4.84381 Sb1.1 Sb1.3 12.000 0.626 0.00441 -2.229 -0.04451 4.97970 4.93519 Sb1.1 Sb1.1 6.000 0.626 0.09300 -2.229 -0.04521 5.05750 5.01229 Sb1.1 Sb1.1 6.000 0.626 0.00405 -2.229 -0.04521 5.05750 5.01229 Sb1.1 Sb1.6 12.000 0.626 0.00288 -2.229 -0.05283 5.91070 5.85787 Sb1.1 Sb1.1 6.000 0.626 0.01144 -2.229 -0.04521 5.05750 5.01229 Sb1.1 Sb1.3 12.000 0.626 0.00441 -2.229 -0.04655 5.20780 5.16125 Sb1.1 6.000 0.038 0.00036 -2.229 -0.45005 2.52880 2.07875 Ga1.1 1.000 0.094 -0.01111 -2.229 -0.00658 2.52880 2.52222 name ei third fourth ====================================================== Sb1.1 0.00000 0.00000 0.00000 Sb1.1 Sb1.1 0.00000 0.00000 0.00000 Sb1.1 Sb1.1 0.00000 0.00000 0.00000 Sb1.2 0.00000 0.00000 0.00000 Sb1.3 0.00000 0.00000 0.00000 Co1.1 0.00000 0.00000 0.00000 Sb1.4 0.00000 0.00000 0.00000 Sb1.5 0.00000 0.00000 0.00000 Sb1.6 0.00000 0.00000 0.00000 Sb1.1 Co1.1 0.00000 0.00000 0.00000 Sb1.1 Sb1.2 0.00000 0.00000 0.00000 Sb1.1 Sb1.3 0.00000 0.00000 0.00000 Sb1.1 Sb1.1 0.00000 0.00000 0.00000 Sb1.1 Sb1.1 0.00000 0.00000 0.00000 Sb1.1 Sb1.6 0.00000 0.00000 0.00000 Sb1.1 Sb1.1 0.00000 0.00000 0.00000 Sb1.1 Sb1.3 0.00000 0.00000 0.00000 Sb1.1 0.00000 0.00000 0.00000 Ga1.1 0.00000 0.00000 0.00000 =*=*=*=*=*=*=*=*=*=*=*=*=*=*=*=*=*=*=*=*=*=*=*=*=*=*=*=*=*=*=*=*=*=*=*=*=*=*=