
Hyperquad (version 6  0  1 )
Refinement Concluded at 21/08/2024 14:36:42
Data from: C:\...\Zn-EDTA simulations\ZnEDTA.HQD ( modified)
Project title: Zn-EDTA simulations
Execution time 0.13 secs
3 iterations. Sigma = 0.352
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    19.2124   0.001
EDTAZn     16.1818   0.001
EDTAZnH-1  4.5193    0.0013

Correlation coefficients
  2   0.603
  3   0.485   0.804
        1       2
Parameter numbers
 1 EDTAZnH
 2 EDTAZn
 3 EDTAZnH-1
