
Hyperquad (version 6  0  1 )
Refinement Concluded at 21-Aug-24 4:36:26 PM
Data from: C:\...\Zn-EDTA simulations\ZnEDTA.HQD ( modified)
Project title: Zn-EDTA simulations
Execution time 0.20 secs
4 iterations. Sigma = 0.339
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    19.2448   0.0012
EDTAZn     16.2394   0.0021
EDTAZnH-1  4.5987    0.0034

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 
2.504E-02  0.0       0.0% Initial concentration H curve 3 
2.505E-02  0.0       0.0% Initial concentration H curve 4 
2.507E-02  0.0       0.0% Initial concentration H curve 5 
2.508E-02  0.0       0.0% Initial concentration H curve 6 

Correlation coefficients
  2   0.705
  3   0.633   0.956
  4  -0.193  -0.275  -0.288
  5  -0.311  -0.472  -0.498   0.143
  6  -0.377  -0.604  -0.64    0.184   0.319
  7  -0.413  -0.691  -0.734   0.21    0.367   0.472
  8  -0.432  -0.749  -0.798   0.228   0.399   0.514   0.593
  9  -0.44   -0.789  -0.842   0.241   0.42    0.543   0.626   0.684
        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 
