
Hyperquad (version 6  0  1 )
Refinement Concluded at 21/08/2024 14:38:02
Data from: C:\...\Zn-EDTA simulations\ZnEDTA.HQD ( modified)
Project title: Zn-EDTA simulations
Execution time 0.30 secs
8 iterations. Sigma = 0.312
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    19.2205   0.001
EDTAZn     16.2059   0.0018
EDTAZnH-1  4.561     0.0028

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 
2.498E-02  0.0       0.0% Initial concentration H curve 5 
2.498E-02  0.0       0.0% Initial concentration H curve 6 

Correlation coefficients
  2   0.691
  3   0.616   0.95 
  4  -0.177  -0.253  -0.267
  5  -0.287  -0.442  -0.47    0.126
  6  -0.35   -0.572  -0.612   0.163   0.288
  7  -0.384  -0.66   -0.707   0.188   0.333   0.435
  8  -0.4    -0.717  -0.771   0.205   0.363   0.475   0.552
  9  -0.404  -0.753  -0.811   0.215   0.381   0.5     0.581   0.637
        1       2       3       4       5       6       7       8
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 
 8 Total mmoles H curve  5 
 9 Total mmoles H curve  6 
