Name : Fit 7 (zbiqg) Description : fit to IG060 Au edge, IG060 Ag edge Figure of merit : 7 Time of fit : 2015-08-04T11:44:50 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 : 30.9250318 Reduced chi-square : 4.0034428 R-factor : 0.1048913 Number of data sets : 2 Happiness = 47.00/100 color = #FD7E6F An R-factor of 0.10489 gives a penalty of 40.00000. Penalty of 2 : The absolute value of e0 for "Au-Au path at 2.8840" is greater than 10. Penalty of 2 : The absolute value of e0 for "Au-Ag path at 2.8860" is greater than 10. Penalty of 2 : S02 for "Au-Ag path at 2.8860" is negative. Penalty of 2 : S02 for "Ag-Au path at 2.8860" is negative. Penalty of 2 : sigma2 for "Ag-Cl path at 2.3600" is negative. 1 correlation above 0.950 for a penalty of 3.000 ***** Note: happiness is a semantic parameter and should ***** ***** NEVER be reported in a publication -- NEVER! ***** guess parameters: enotau = 12.04909151 # +/- 3.61624332 [0] enotag = 1.54542913 # +/- 2.66671160 [0] xauau = 0.92888158 # +/- 0.77228261 [1.00000] delrauau = -0.05012408 # +/- 0.03882352 [0] ssauau = 0.01468935 # +/- 0.00925239 [0.00300] xagag = 0.46948253 # +/- 0.28434014 [1.00000] delragag = -0.04296645 # +/- 0.02729012 [0] ssagag = 0.00837372 # +/- 0.00448921 [0.00300] xauag = -0.98524309 # +/- 0.61069281 [1.00000] xagau = -0.66209883 # +/- 0.53896962 [1.00000] delrauag = -0.24688731 # +/- 0.04724568 [0] ssauag = 0.02012233 # +/- 0.00956627 [0.00300] xagcl = 0.04753767 # +/- 0.19158273 [1.00000] delragcl = -0.14064093 # +/- 0.03845441 [0] ssagcl = -0.01301691 # +/- 0.01752465 [0.00300] set parameters: ampau = 0.83063000 ampag = 0.91087000 Correlations between variables: ssagcl & xagcl --> 0.9816 ssauag & xauag --> -0.9467 ssauau & xauau --> 0.8927 ssagag & xagag --> 0.8713 delrauag & enotau --> 0.8150 xagau & enotag --> -0.6698 delrauag & xauag --> -0.6561 xagau & xagag --> 0.6544 delragag & enotag --> 0.6276 xagag & enotag --> -0.5895 ssauag & xagau --> -0.5774 xagau & ssagag --> 0.5708 xagau & xauag --> 0.5693 xauag & ssauau --> -0.5474 ssauag & delrauag --> 0.5415 ssagag & enotag --> -0.5094 ssauag & ssauau --> 0.5067 delrauag & enotag --> 0.4691 delrauau & enotau --> 0.4665 ssauag & delragag --> 0.4556 xauag & enotag --> -0.4408 xauag & delragag --> -0.4387 delragcl & xagcl --> 0.4258 ssagcl & delragag --> -0.4249 delrauag & xagau --> -0.4246 xagcl & delragag --> -0.4171 xauag & enotau --> -0.4153 ssagcl & delragcl --> 0.4137 ssauag & enotag --> 0.4130 All other correlations below 0.4 ===== 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 -> 0.08851, 2 -> 0.10227, 3 -> 0.15896 name N S02 sigma^2 e0 delr Reff R ======================================================================================= Au-Au path at 2.8840 12.000 0.772 0.01469 12.049 -0.05012 2.88400 2.83388 Au-Ag path at 2.8860 12.000 -0.818 0.02012 12.049 -0.24689 2.88600 2.63911 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 ===== 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 -> 0.04066, 2 -> 0.08936, 3 -> 0.14476 name N S02 sigma^2 e0 delr Reff R ======================================================================================= Ag-Ag path at 2.8890 12.000 0.428 0.00837 1.545 -0.04297 2.88900 2.84603 Ag-Au path at 2.8860 12.000 -0.603 0.02012 1.545 -0.24689 2.88600 2.63911 Ag-Cl path at 2.3600 1.000 0.043 -0.01302 1.545 -0.14064 2.36000 2.21936 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-Cl path at 2.3600 0.00000 0.00000 0.00000 =*=*=*=*=*=*=*=*=*=*=*=*=*=*=*=*=*=*=*=*=*=*=*=*=*=*=*=*=*=*=*=*=*=*=*=*=*=*=