
Hyperquad (version 6  0  1 )
Refinement Concluded at 08/09/2024 13:05:08
Data from: C:\...\HQD2013 - 4 tit\ZnEDTA.HQD ( modified)
Project title: Zn-EDTA simulations
Execution time 0.16 secs
6 iterations. Sigma = 0.286
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    19.2443   0.0015
EDTAZn     16.2382   0.0031
EDTAZnH-1  4.5955    0.0052

Dangerous parameters
           Standard
Value      Deviation change
2.501E-02  0.0       0.0% Initial concentration H curve 1 
2.502E-02  0.0       0.0% Initial concentration H curve 2 
2.504E-02  0.0       0.0% Initial concentration H curve 3 
2.505E-02  0.0       0.0% Initial concentration H curve 4 

Correlation coefficients
  2   0.683
  3   0.635   0.961
  4  -0.321  -0.458  -0.478
  5  -0.456  -0.69   -0.724   0.347
  6  -0.502  -0.796  -0.837   0.4     0.607
  7  -0.515  -0.848  -0.893   0.426   0.647   0.75 
        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 
