
Hyperquad (version 6  0  1 )
Refinement Concluded at 22/07/2024 17:15:57
Data from: D:\...\Zn-EDTA simulations\ZnEDTA.HQD ( modified)
Project title: Zn-EDTA simulations
Execution time 0.40 secs
11 iterations. Sigma = 2.961
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    18.8353   0.0079
EDTAZn     15.6804   0.0139
EDTAZnH-1  3.5528    0.0258

Dangerous parameters
           Standard
Value      Deviation change
6.215E-01  0.0002    -0.6%Total mmoles H curve 1 
6.242E-01  0.0001    -0.1%Total mmoles H curve 2 
6.262E-01  0.0002    0.2% Total mmoles H curve 3 
6.283E-01  0.0002    0.5% Total mmoles H curve 4 
6.302E-01  0.0002    0.8% Total mmoles H curve 5 
6.317E-01  0.0002    1.1% Total mmoles H curve 6 

Correlation coefficients
  2   0.612
  3   0.54    0.895
  4  -0.148  -0.208  -0.22 
  5  -0.2    -0.299  -0.319   0.072
  6  -0.317  -0.496  -0.534   0.119   0.172
  7  -0.357  -0.586  -0.634   0.141   0.204   0.34 
  8  -0.378  -0.649  -0.705   0.156   0.226   0.378   0.449
  9  -0.367  -0.66   -0.719   0.158   0.23    0.385   0.457   0.51 
        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 
