By JPG Malthouse
Open the Mac App Store to buy and download apps.
This program fits and plots bell shaped pH data to the equation:-
kobs = k/(1+[H]/K2+K1/[H])
Results can be printed, saved as a text document or copied and pasted into other applications such as Word.
When "Fit" is selected a linear reciprocal plot is used to make the initial estimates of kobs and the pKa. These values of kobs and pKa are then used as the initial estimates to fit the experimental data using an iterative, non linear least-squares regression program.
When "Fit with estimates" is selected you must input the initial estimates of kobs and the pKa. The experimental data is then fitted using an iterative, non linear least-squares regression program.
Instructions and test data are provided.
What's New in Version 1.1.0
Users can now delete individual rows from data files.