
Hyperquad (version 6  0  1 )
Refinement Concluded at 08/09/2024 12:45:35
Data from: C:\...\HQD2013 - 4 tit\ZnEDTA.HQD ( modified)
Project title: Zn-EDTA simulations
Execution time 0.11 secs
4 iterations. Sigma = 0.254
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    19.2322   0.0014
EDTAZn     16.2239   0.003
EDTAZnH-1  4.5917    0.0051

Dangerous parameters
           Standard
Value      Deviation change
2.500E-02  0.0       0.0% Initial concentration H curve 1 
2.499E-02  0.0       0.0% Initial concentration H curve 2 
2.499E-02  0.0       0.0% Initial concentration H curve 3 
2.499E-02  0.0       0.0% Initial concentration H curve 4 

Correlation coefficients
  2   0.715
  3   0.674   0.968
  4  -0.368  -0.504  -0.522
  5  -0.513  -0.736  -0.765   0.399
  6  -0.559  -0.832  -0.867   0.452   0.663
  7  -0.572  -0.877  -0.914   0.476   0.7     0.795
        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 
