
Hyperquad (version 6  0  1 )
Refinement Concluded at 22/07/2024 17:26:52
Data from: D:\...\Zn-EDTA simulations\ZnEDTA.HQD ( modified)
Project title: Zn-EDTA simulations
Execution time 0.09 secs
4 iterations. Sigma = 10.172
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    19.2398   0.0322
EDTAZn     16.5476   0.028
EDTAZnH-1  5.4245    0.0353

Correlation coefficients
  2   0.666
  3   0.528   0.793
        1       2
Parameter numbers
 1 EDTAZnH
 2 EDTAZn
 3 EDTAZnH-1
