
Hyperquad (version 6  0  1 )
Refinement Concluded at 06/09/2024 14:54:09
Data from: D:\...\HQD2013 - 4 tit\ZnEDTA.HQD ( modified)
Project title: Zn-EDTA simulations
Execution time 0.11 secs
8 iterations. Sigma = 1.250
Refinement converged successfully

                     Standard
Log beta   Value     Deviation Comment
H-1        -13.78              constant
EDTAH       10.19              constant
EDTAH2      16.32              constant
EDTAH3      19.01              constant
EDTAH4      21.01              constant
EDTAH5      22.51              constant
ZnH-1      -9.15               constant
ZnH-2      -17.1               constant
ZnH-3      -28.39              constant
ZnH-4      -40.71              constant
Zn2H-1     -8.89               constant
Zn2H-6     -57.53              constant
EDTAZnH    19.0117   0.0064
EDTAZn     15.8898   0.0143
EDTAZnH-1  3.965     0.0254

Dangerous parameters
           Standard
Value      Deviation change
2.497E-02  0.0       0.0% Initial concentration H curve 1 
2.503E-02  0.0       0.0% Initial concentration H curve 2 
2.509E-02  0.0       0.0% Initial concentration H curve 3 
2.514E-02  0.0       0.0% Initial concentration H curve 4 

Correlation coefficients
  2   0.708
  3   0.68    0.958
  4  -0.334  -0.435  -0.452
  5  -0.526  -0.711  -0.74    0.336
  6  -0.585  -0.815  -0.85    0.385   0.63 
  7  -0.604  -0.865  -0.904   0.408   0.668   0.768
        1       2       3       4       5       6
Parameter numbers
 1 EDTAZnH
 2 EDTAZn
 3 EDTAZnH-1
 4 Total mmoles H curve  1 
 5 Total mmoles H curve  2 
 6 Total mmoles H curve  3 
 7 Total mmoles H curve  4 
