User`s manual
50 Chapter 5: Software Description
Calorimetry Sciences Corp.
CSC 5300 N-ITC III 51
User’s Manual
The initial Area display is shown in Figure 5-23. If you did not enter values for Ligand,
Macromolecule, and cell volume when you ran your experiment, enter the values in the
appropriate box.
If, for some reason, a parameter of a particular injection (or injections) changed, you
can revise the value in the data spreadsheet. To change a value, highlight it, then enter
the new value in the data entry box (Figure 5-24). To recalculate the spreadsheet values,
single-click the Recalc button.
When you are satised with any additions or changes, select File⇒Save to write the
changes to disk.
Modeling and Fit of the Data
Once you have checked your raw experiment data for errors and entered the key experi-
ment parameters, you can model and t the data (Figure 5-25).
To t and model the data:
1. Select the desired model.
(See Modeling, for addi-
tional information on mod-
eling.)
2. Single-click the Fit Data
icon on the toolbar.
3. The computer will
calculate the values n, K,
and ∆H.
After tting the data you
can test the quality of your
t using BindWorks built-in
statistical functions.
Figure 5-25: A completed model and statistical histogram.