
Hyperquad (version 6  0  1 )
Refinement Concluded at 08/09/2024 12:50:41
Data from: C:\...\HQD2013 - 4 tit\ZnEDTA.HQD ( modified)
Project title: Zn-EDTA simulations
Execution time 0.21 secs
8 iterations. Sigma = 0.298
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    19.2139   0.0015
EDTAZn     16.1962   0.003
EDTAZnH-1  4.5359    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 
2.498E-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   0.66 
  3   0.61    0.954
  4  -0.293  -0.424  -0.447
  5  -0.423  -0.656  -0.694   0.31 
  6  -0.468  -0.767  -0.813   0.363   0.565
  7  -0.48   -0.822  -0.873   0.388   0.606   0.712
        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 
