Name : Fit 3 (uqhra) Description : fit to IG060 Au edge, IG060 Ag edge Figure of merit : 3 Time of fit : 2015-08-03T22:50:08 Environment : Demeter 0.9.21 with perl 5.018002 and using Ifeffit 1.2.11d on Windows 8 Interface : Artemis (Wx 0.9923) Prepared by : Contact : =*=*=*=*=*=*=*=*=*=*=*=*=*=*=*=*=*=*=*=*=*=*=*=*=*=*=*=*=*=*=*=*=*=*=*=*=*=*= Independent points : 22.7246094 Number of variables : 15 Chi-square : 13.3195924 Reduced chi-square : 1.7243063 R-factor : 0.0575566 Number of data sets : 2 Happiness = 60.44/100 color = #FD806F An R-factor of 0.05756 gives a penalty of 37.55660. Penalty of 2 : S02 for "Ag(K)-Cl" is negative. ***** Note: happiness is a semantic parameter and should ***** ***** NEVER be reported in a publication -- NEVER! ***** guess parameters: enotau = 6.73021488 # +/- 1.67833757 [0] enotag = -1.37957152 # +/- 1.64499269 [0] xauau = 0.13773494 # +/- 0.16862299 [1.00000] delrauau = -0.03130856 # +/- 0.03805930 [0] ssauau = 0.00384085 # +/- 0.00657430 [0.00300] xagag = 0.18069186 # +/- 0.13403233 [1.00000] delragag = -0.06043529 # +/- 0.02512076 [0] ssagag = 0.00046586 # +/- 0.00450046 [0.00300] xauag = 0.84275930 # +/- 0.22181290 [1.00000] xagau = 1.34070878 # +/- 0.71041967 [1.00000] delrauag = -0.04756358 # +/- 0.02603564 [0] ssauag = 0.01359780 # +/- 0.00337383 [0.00300] xagcl = -2.48683296 # +/- 5.78228909 [1] delragcl = 0.48987327 # +/- 0.07022920 [0] ssagcl = 0.00233339 # +/- 0.02496727 [0.003] set parameters: ampau = 0.83063000 ampag = 0.91087000 Correlations between variables: ssagcl & xagcl --> -0.9491 delrauag & enotau --> 0.9106 delragcl & xagcl --> -0.8517 ssauag & xauag --> 0.8505 ssagcl & delragcl --> 0.8325 ssauau & xauau --> 0.8104 ssagcl & delragag --> -0.8061 xagcl & xagau --> -0.7909 xagau & xagag --> -0.7674 xagcl & delragag --> 0.7425 delragcl & enotag --> 0.7344 delragcl & xagau --> 0.7252 delrauau & enotau --> 0.6893 delrauag & delrauau --> 0.6522 ssagcl & xagau --> 0.6283 xagcl & enotag --> -0.6244 ssagcl & enotag --> 0.6153 ssagag & xagag --> 0.6104 xauag & xauau --> -0.5946 delrauag & xauau --> -0.5672 xauau & enotau --> -0.5455 delrauag & xauag --> 0.5433 ssagcl & ssagag --> 0.5431 delrauag & enotag --> 0.5422 xagcl & xagag --> 0.5296 ssagcl & ssauag --> 0.5075 delragcl & ssauag --> 0.4795 enotag & enotau --> 0.4768 delragcl & xauag --> 0.4720 ssauag & xagau --> 0.4684 xauag & ssagag --> 0.4558 ssauag & ssagag --> 0.4493 delragcl & delragag --> -0.4426 delrauag & ssagag --> 0.4295 xagau & delragag --> -0.4197 xagcl & ssauag --> -0.4162 ssagcl & xauag --> 0.4152 xauag & enotau --> 0.4104 delragcl & delrauag --> 0.4057 xagau & enotag --> 0.4025 All other correlations below 0.4 ===== Data set >> IG060 Ag edge << ==================================== : file = C:\Users\Maenosono Lab\Desktop\paper for subm\EXAFS Analyses for Paper\670922804811540156-web-restore_2\EXAFS Analyses for paper\VIPERised\Ag\cho\ig060 CORRECT.cho : name = IG060 Ag edge : k-range = 3.000 - 12 : dk = 1 : k-window = hanning : k-weight = 1,2,3 : R-range = 1.5 - 3.5 : dR = 0.0 : R-window = hanning : fitting space = r : background function = no : phase correction = no : background removal = : epsilon_k by k-weight = 1.000e+000 : epsilon_r by k-weight = 3.113e-002 : R-factor by k-weight = 1 -> 0.02907, 2 -> 0.05955, 3 -> 0.10167 name N S02 sigma^2 e0 delr Reff R ======================================================================================= Ag-Ag path at 2.8890 12.000 0.165 0.00047 -1.380 -0.06044 2.88900 2.82857 Ag-Au path at 2.8860 12.000 1.221 0.01360 -1.380 -0.04756 2.88600 2.83844 Ag(K)-Cl 1.000 -2.265 0.00233 -1.380 0.48987 2.36000 2.84987 name ei third fourth ======================================================= Ag-Ag path at 2.8890 0.00000 0.00000 0.00000 Ag-Au path at 2.8860 0.00000 0.00000 0.00000 Ag(K)-Cl 0.00000 0.00000 0.00000 ===== Data set >> IG060 Au edge << ==================================== : file = : name = IG060 Au edge : k-range = 3.000 - 12 : dk = 1 : k-window = hanning : k-weight = 1,2,3 : R-range = 1.5 - 3.5 : dR = 0.0 : R-window = hanning : fitting space = r : background function = no : phase correction = no : background removal = : epsilon_k by k-weight = 1.000e+000 : epsilon_r by k-weight = 3.878e-002 : R-factor by k-weight = 1 -> 0.01532, 2 -> 0.03203, 3 -> 0.07187 name N S02 sigma^2 e0 delr Reff R ======================================================================================= Au-Au path at 2.8840 12.000 0.114 0.00384 6.730 -0.03131 2.88400 2.85269 Au-Ag path at 2.8860 12.000 0.700 0.01360 6.730 -0.04756 2.88600 2.83844 name ei third fourth ======================================================= Au-Au path at 2.8840 0.00000 0.00000 0.00000 Au-Ag path at 2.8860 0.00000 0.00000 0.00000 =*=*=*=*=*=*=*=*=*=*=*=*=*=*=*=*=*=*=*=*=*=*=*=*=*=*=*=*=*=*=*=*=*=*=*=*=*=*=