
Hyperquad (version 6  0  1 )
Refinement Concluded at 22/07/2024 17:29:06
Data from: D:\...\Zn-EDTA simulations\ZnEDTA.HQD ( modified)
Project title: Zn-EDTA simulations
Execution time 0.21 secs
10 iterations. Sigma = 2.110
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    19.0388   0.0072
EDTAZn     16.0196   0.0156
EDTAZnH-1  4.5564    0.026

Dangerous parameters
           Standard
Value      Deviation change
6.377E-01  0.0001    2.0% Total mmoles H curve 1 
6.377E-01  0.0002    2.0% Total mmoles H curve 2 
6.376E-01  0.0002    2.0% Total mmoles H curve 3 
6.375E-01  0.0002    2.0% Total mmoles H curve 4 
6.373E-01  0.0002    1.9% Total mmoles H curve 5 
6.371E-01  0.0003    1.9% Total mmoles H curve 6 

Correlation coefficients
  2   0.743
  3   0.702   0.974
  4  -0.269  -0.351  -0.362
  5  -0.432  -0.586  -0.606   0.22 
  6  -0.515  -0.722  -0.747   0.27    0.453
  7  -0.556  -0.799  -0.828   0.299   0.502   0.62 
  8  -0.574  -0.845  -0.876   0.316   0.53    0.656   0.728
  9  -0.581  -0.872  -0.904   0.326   0.547   0.677   0.752   0.797
        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 
