Operation-pK distribution

Page 1. Start Analysis

If the titration curve is pasted into the active grid, enter experimental parameters and click Calculate Q. The titration curve will be converted to the binding isotherm Q.

After data are entered, click Calculate pK distribution to initiate the analysis.

Active Grid >> Copy, Paste and Delete data.
Grid Page 1: Paste titration curve pH (V)
Grid Page 2 : Paste proton binding isotherm, Q (pH)

Page 2. Solution

The initial solution applies an initial guess for Lambda parameter based on the L-curve and Fitting error analysis. The user can interactively select other Lambda values to see the effect on the pK distribution and fit.

File (MENU):
Save results as… >> Save results files to be used for overlays.
Export CSV >> Generate CSV file.

Interactive change of Lambda. Interactive change of pK plot range. Interactive change of pK calculation range.

Page 3. Overlays & Peak Integration

Display complete results of Differential and Cumulative pK Distributions.
Overlays of previously saved results.
Integrate peaks in the interactively selected pK ranges.
Display table of the integration results and peak positions.

Page 4. Tab Results

View numerical results.
Select columns >> Copy to clipboard.

Select top of the column you want to copy.