
Hyperquad (version 6  0  1 )
Refinement Concluded at 06/09/2024 15:00:04
Data from: D:\...\HQD2013 - 4 tit\ZnEDTA.HQD ( modified)
Project title: Zn-EDTA simulations
Execution time 0.22 secs
18 iterations. Sigma = 2.825
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    18.7276   0.0118
EDTAZn     15.5294   0.0234
EDTAZnH-1  3.0029    0.0603

Dangerous parameters
           Standard
Value      Deviation change
2.490E-02  0.0       0.0% Initial concentration H curve 1 
2.503E-02  0.0       0.0% Initial concentration H curve 2 
2.516E-02  0.0       0.0% Initial concentration H curve 3 
2.526E-02  0.0       0.0% Initial concentration H curve 4 

Correlation coefficients
  2   0.562
  3   0.51    0.834
  4  -0.238  -0.329  -0.344
  5  -0.378  -0.545  -0.575   0.21 
  6  -0.443  -0.668  -0.71    0.258   0.429
  7  -0.459  -0.725  -0.774   0.279   0.464   0.571
        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 
