Global parameters
Fitting parameters accounting for experimental artifacts that have an effect on the ITC isotherm
Qdil: corrects for the molar enthalpy of dilution of the injected solute, this is generally required when no complementary dilution experiment (with the pure solvent in the cell) were performed and subtracted from a binding experiment
Qdb: corrects for a potential baseline shift, generally due to external (not specific from the studied system) physical phenomena
r(M), r(A), r(B): scaling parameters empllyed to correct potential differences between nominal and true concentration of compounds M, A and B, respectively. The “r” parameter multiplied by the nominal concentration yields the true concentration (i.e. r(A)=0.9 indicates that the real concentration of the main compound in the sample cell “A” is 0.9 times the nominal concentration).
Value/eq: initial guess or “seed” value. This field can be left as random (RND), it can be filled with a number or, with an equation that relates it to another parameter of the fit subproject.
Min-Max: set the upper and lower limits of the fitting parameter.
Fit: check this option for a particular parameter if you want to fit it during the analysis. Uncheck it if you want to set the parameter as a constant value (specified in the value/eq field).
Reaction parameters
Fitting parameters of the thermodynamic data associated with the equilibria described in the binding model selected.
Ka: Association constant
ΔH: Binding enthalpy
Value/eq: initial guess or “seed” value. This field can be left as random (RND), it can be filled with a number or, with an equation that relates it to another parameter of the fit subproject.
Min-Max: set the upper and lower limits of the fitting parameter.
Fit: check this option for a particular parameter if you want to fit it during the analysis. Uncheck it if you want to set the parameter as a constant value (specified in the value/eq field).