
Hyperquad (version 6  0  1 )
Refinement Concluded at 21/08/2024 16:25:18
Data from: C:\...\Zn-EDTA simulations\ZnEDTA.HQD ( modified)
Project title: Zn-EDTA simulations
Execution time 0.13 secs
3 iterations. Sigma = 0.270
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    19.2473   0.0009
EDTAZn     16.2431   0.0018
EDTAZnH-1  4.6177    0.0029

Dangerous parameters
           Standard
Value      Deviation change
2.501E-02  0.0       0.0% Initial concentration H curve 1 
2.501E-02  0.0       0.0% Initial concentration H curve 2 
2.502E-02  0.0       0.0% Initial concentration H curve 3 
2.503E-02  0.0       0.0% Initial concentration H curve 4 
2.504E-02  0.0       0.0% Initial concentration H curve 5 
2.505E-02  0.0       0.0% Initial concentration H curve 6 

Correlation coefficients
  2   0.724
  3   0.659   0.963
  4  -0.216  -0.3    -0.312
  5  -0.347  -0.51   -0.534   0.167
  6  -0.419  -0.644  -0.677   0.211   0.362
  7  -0.457  -0.729  -0.768   0.239   0.41    0.522
  8  -0.476  -0.783  -0.826   0.256   0.442   0.563   0.64 
  9  -0.484  -0.818  -0.864   0.268   0.462   0.589   0.671   0.724
        1       2       3       4       5       6       7       8
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 
 8 Total mmoles H curve  5 
 9 Total mmoles H curve  6 
