How-To: Basic Fits with GUI


Example fit

The following shows an example fit to \(Ca^{2+}\) binding to \(EDTA\). The data file can be found here.


To load an experiment, go to File -> Add Experiment.


Select the heat file, select the model and set the experiment parameters.


Before fitting, the graph shows the model calculated using the parameter guesses.


To alter the fit parameters, click the button next to the experiment.


In the window that opens, you can set parameter guess, link the fit parameters to global parameters, fix them, and set fit bounds.


Click the “Do Fit” button to do the fit.


The fit now appears, with residuals, fit statistics, and parameter values.


The “Corner Plot” tab shows the uncertainty and covariation between the fit parameters.


The fit results can be exported by going to File->Export Results.

This can be repeated for more experiments. Any new experiments you load will be added to the GUI.

Videos of fits

Maximum likelihood single-site fit

Bayesian single-site fit

Model selection using an AIC test

Simple global fit

Van’t Hoff connector fit

Indices and tables