
Hyperquad (version 6  0  1 )
Refinement Concluded at 06/09/2024 14:49:19
Data from: D:\...\HQD2013 - 4 tit\ZnEDTA.HQD ( modified)
Project title: Zn-EDTA simulations
Execution time 0.05 secs
3 iterations. Sigma = 0.245
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    19.2466   0.0015
EDTAZn     16.2423   0.0034
EDTAZnH-1  4.6283    0.0058

Dangerous parameters
           Standard
Value      Deviation change
2.500E-02  0.0       0.0% Initial concentration H curve 1 
2.500E-02  0.0       0.0% Initial concentration H curve 2 
2.500E-02  0.0       0.0% Initial concentration H curve 3 
2.500E-02  0.0       0.0% Initial concentration H curve 4 

Correlation coefficients
  2   0.763
  3   0.731   0.978
  4  -0.445  -0.575  -0.59 
  5  -0.594  -0.796  -0.818   0.483
  6  -0.638  -0.877  -0.902   0.532   0.739
  7  -0.65   -0.912  -0.939   0.554   0.769   0.85 
        1       2       3       4       5       6
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 
