
Hyperquad (version 6  0  1 )
Refinement Concluded at 22/07/2024 17:13:58
Data from: D:\...\Zn-EDTA simulations\ZnEDTA.HQD ( modified)
Project title: Zn-EDTA simulations
Execution time 0.23 secs
7 iterations. Sigma = 2.454
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    18.9049   0.0072
EDTAZn     15.7627   0.0143
EDTAZnH-1  3.7403    0.0258

Dangerous parameters
           Standard
Value      Deviation change
6.224E-01  0.0002    -0.4%Total mmoles H curve 1 
6.244E-01  0.0002    -0.1%Total mmoles H curve 2 
6.263E-01  0.0002    0.2% Total mmoles H curve 3 
6.280E-01  0.0002    0.5% Total mmoles H curve 4 
6.297E-01  0.0002    0.7% Total mmoles H curve 5 
6.311E-01  0.0002    1.0% Total mmoles H curve 6 

Correlation coefficients
  2   0.688
  3   0.635   0.94 
  4  -0.2    -0.266  -0.277
  5  -0.319  -0.444  -0.465   0.13 
  6  -0.416  -0.599  -0.63    0.175   0.294
  7  -0.462  -0.688  -0.726   0.201   0.338   0.457
  8  -0.486  -0.747  -0.79    0.218   0.367   0.497   0.573
  9  -0.496  -0.784  -0.83    0.228   0.385   0.522   0.603   0.657
        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 
