
Hyperquad (version 6  0  1 )
Refinement Concluded at 21-Aug-24 4:33:24 PM
Data from: C:\...\Zn-EDTA simulations\ZnEDTA.HQD ( modified)
Project title: Zn-EDTA simulations
Execution time 0.19 secs
4 iterations. Sigma = 0.300
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    19.2461   0.001
EDTAZn     16.241    0.0019
EDTAZnH-1  4.6081    0.0031

Dangerous parameters
           Standard
Value      Deviation change
2.501E-02  0.0       0.0% Initial concentration H curve 1 
2.502E-02  0.0       0.0% Initial concentration H curve 2 
2.503E-02  0.0       0.0% Initial concentration H curve 3 
2.504E-02  0.0       0.0% Initial concentration H curve 4 
2.505E-02  0.0       0.0% Initial concentration H curve 5 
2.506E-02  0.0       0.0% Initial concentration H curve 6 

Correlation coefficients
  2   0.713
  3   0.644   0.959
  4  -0.203  -0.285  -0.298
  5  -0.326  -0.488  -0.513   0.153
  6  -0.395  -0.621  -0.656   0.195   0.337
  7  -0.431  -0.707  -0.749   0.222   0.385   0.494
  8  -0.45   -0.763  -0.81    0.24    0.416   0.535   0.613
  9  -0.458  -0.801  -0.851   0.252   0.437   0.562   0.645   0.7  
        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 
