
Hyperquad (version 6  0  1 )
Refinement Concluded at 21/08/2024 14:47:34
Data from: C:\...\Zn-EDTA simulations\ZnEDTA.HQD ( modified)
Project title: Zn-EDTA simulations
Execution time 0.94 secs
13 iterations. Sigma = 0.446
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    19.1981   0.0014
EDTAZn     16.1709   0.0021
EDTAZnH-1  4.4924    0.0033

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 
2.497E-02  0.0       0.0% Initial concentration H curve 5 
2.497E-02  0.0       0.0% Initial concentration H curve 6 

Correlation coefficients
  2   0.655
  3   0.565   0.926
  4  -0.138  -0.201  -0.218
  5  -0.222  -0.358  -0.392   0.085
  6  -0.27   -0.474  -0.523   0.113   0.205
  7  -0.294  -0.557  -0.616   0.133   0.242   0.324
  8  -0.302  -0.611  -0.679   0.146   0.266   0.358   0.425
  9  -0.297  -0.637  -0.71    0.152   0.278   0.375   0.446   0.495
        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 
