
Hyperquad (version 6  0  1 )
Refinement Concluded at 22/07/2024 17:13:02
Data from: D:\...\Zn-EDTA simulations\ZnEDTA.HQD ( modified)
Project title: Zn-EDTA simulations
Execution time 0.23 secs
7 iterations. Sigma = 1.940
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    18.9808   0.0062
EDTAZn     15.8616   0.0127
EDTAZnH-1  3.9446    0.0222

Dangerous parameters
           Standard
Value      Deviation change
6.233E-01  0.0001    -0.3%Total mmoles H curve 1 
6.247E-01  0.0001    -0.1%Total mmoles H curve 2 
6.261E-01  0.0002    0.2% Total mmoles H curve 3 
6.275E-01  0.0002    0.4% Total mmoles H curve 4 
6.288E-01  0.0002    0.6% Total mmoles H curve 5 
6.300E-01  0.0002    0.8% Total mmoles H curve 6 

Correlation coefficients
  2   0.726
  3   0.679   0.957
  4  -0.228  -0.295  -0.306
  5  -0.376  -0.508  -0.528   0.162
  6  -0.467  -0.652  -0.68    0.208   0.359
  7  -0.514  -0.738  -0.771   0.235   0.407   0.524
  8  -0.538  -0.792  -0.829   0.253   0.437   0.563   0.639
  9  -0.55   -0.827  -0.867   0.264   0.456   0.589   0.669   0.72 
        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 
