
Hyperquad (version 6  0  1 )
Refinement Concluded at 08/09/2024 13:00:04
Data from: C:\...\HQD2013 - 4 tit\ZnEDTA.HQD ( modified)
Project title: Zn-EDTA simulations
Execution time 0.14 secs
5 iterations. Sigma = 0.254
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    19.2467   0.0014
EDTAZn     16.2425   0.003
EDTAZnH-1  4.6148    0.005

Dangerous parameters
           Standard
Value      Deviation change
2.501E-02  0.0       0.0% Initial concentration H curve 1 
2.501E-02  0.0       0.0% Initial concentration H curve 2 
2.502E-02  0.0       0.0% Initial concentration H curve 3 
2.503E-02  0.0       0.0% Initial concentration H curve 4 

Correlation coefficients
  2   0.712
  3   0.671   0.968
  4  -0.364  -0.501  -0.519
  5  -0.507  -0.733  -0.762   0.396
  6  -0.553  -0.83   -0.865   0.449   0.659
  7  -0.566  -0.875  -0.913   0.473   0.696   0.792
        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 
