
Hyperquad (version 6  0  1 )
Refinement Concluded at 08/09/2024 12:47:49
Data from: C:\...\HQD2013 - 4 tit\ZnEDTA.HQD ( modified)
Project title: Zn-EDTA simulations
Execution time 0.16 secs
6 iterations. Sigma = 0.271
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    19.2234   0.0014
EDTAZn     16.2108   0.0029
EDTAZnH-1  4.5653    0.0049

Dangerous parameters
           Standard
Value      Deviation change
2.499E-02  0.0       0.0% Initial concentration H curve 1 
2.499E-02  0.0       0.0% Initial concentration H curve 2 
2.499E-02  0.0       0.0% Initial concentration H curve 3 
2.498E-02  0.0       0.0% Initial concentration H curve 4 

Correlation coefficients
  2   0.687
  3   0.642   0.962
  4  -0.328  -0.463  -0.484
  5  -0.467  -0.697  -0.73    0.353
  6  -0.513  -0.802  -0.841   0.406   0.615
  7  -0.526  -0.852  -0.895   0.432   0.654   0.756
        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 
