Start fitting demo

Start the toolbox by typing inside the command window, and press enter. The main graphical user interface will open.

Load your dataset.

Two figures open. The raw dataset in three dimensions (can be rotated) and another plot that allows for data exploration. Clicking once inside the latter figure (the surface plot) to activate a cross-hair, and a second time to select a point inside the surface plot. The selected point (the center of the cross-hair) determines which time trace and which spectrum to plot individually. Click again for another point.

Define the rate constants in descending order (to get increasing time constants), separated by spaces. The order button does this automatically for you. The grab button takes the values of the last fit and puts them in the rate constants box.

Select the model to apply to your data. It will appear in the information panel after having pressed the fit button. The number of rate constants should match the model file. Parallel and sequential models for up to 6 rate constants are supplied. Create and load your own connectivity scheme if desired.

Fix time zero to start with to prevent poor convergence: activate constraints, and check the corresponding box. Release it after having fitted your first session if desired.

That's it! You are ready to fit your data. Press fit!

See the fitting results section:

- Fit results screenshots