Terminology, keyboard conventions, calculation symbols, equations, and references.
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Workspace terms
Term
Meaning in FT-ITC Analysis
Experiment Data
One imported or application-created ITC dataset, including its details and analysis state.
Data / Results
The workspace list containing experiments and stored Analysis Results.
Selected
The item currently shown or targeted by a selection-specific command.
Active experiments
Experiments included in a multi-experiment operation.
Solution
A fitted model state for one experiment.
Analysis Result
A stored fit result with one or more member solutions and the fit state used to create it.
Attribute
Experiment metadata used for organization or analysis context.
Valid result
An Analysis Result whose recorded fit inputs still match the current project state.
Correlation view
Pearson correlations between fitted parameter coordinates across one listwise-complete residual-bootstrap ensemble, with finite-simulation precision diagnostics.
Pearson correlation
A value from −1 to +1 describing linear co-variation between two fitted coordinates.
Monte Carlo precision interval
Approximate Fisher-transformation interval describing how precisely the correlation coefficient r is estimated from the finite retained-refit ensemble; it is not uncertainty for either fitted parameter or a model-validity assessment.
AIC / AICc
Analysis-level criteria for comparing saved fits with the same observations, response definition, weighting mode, and likelihood convention; smaller values are preferred. Both modes estimate one residual-variance parameter; weighted criteria use integration errors as relative uncertainties. AICc uses the standard small-sample approximation for nonlinear fits and is preferred when available. Independently fitted members also show a per-member AICc / AIC column for same-experiment comparisons. Neither criterion establishes model adequacy.
Uncertainty terms
Term
Meaning in FT-ITC Analysis
Best-fit value
Parameter value from the primary optimization. Resampling estimates uncertainty around this value but does not replace it with a resampling mean or median.
Standard deviation (SD)
Root-mean-square deviation of retained resampling values from the primary best-fit value.
95% confidence interval (CI)
The 2.5th and 97.5th percentiles of the retained resampling distribution. It can be asymmetric around the best-fit value.
Automatic uncertainty display
Shows CI for a materially asymmetric stored interval and SD otherwise. It selects a presentation separately for each reported quantity.
Displayed parameter uncertainty
Fitted-coordinate uncertainty after conversion or propagation into the quantity shown to the user. The Automatic display decision is applied to this displayed quantity.
Profile likelihood
Fixed-95% conditional profiling. Unweighted intervals use an F-calibrated RSS increment under independent Gaussian residual assumptions; weighted intervals use a one-degree-of-freedom chi-square increment conditional on supplied peak-area SDs. A parameter bound reached before crossing is censoring, not a confidence endpoint. The reported primary fit remains unchanged.
Profile equivalent SD
Symmetric value ± SD display scale computed from a complete asymmetric profile interval; it is a display equivalent, not a Gaussian sampling SD.
Keyboard conventions
The application command modifier is Command on macOS and Ctrl on Windows or Linux.
Shortcut
Function
Command/Ctrl + O
Open data or a project.
Command/Ctrl + S
Save the current project.
Command/Ctrl + Shift + S
Save the project under another name.
Command/Ctrl + E
Open data export.
Command/Ctrl + P
Print the active graph or figure.
Command/Ctrl + Z
Restore the most recently removed item.
Command/Ctrl + I
Invert the Active Experiment Data set.
Command/Ctrl + comma
Open Preferences.
Command/Ctrl + Q
Quit FT-ITC Analysis.
F1
Open Help and Guide on Windows and Linux. On macOS, open Help through the ? menu command.
Enter
Open Details for the selected Data/Results item on Windows and Linux.
Left / Right
Change the selected injection in Process Data.
Space
Copy the selected integration length to the next injection in Process Data; the start is also copied when that processing option is enabled.
Thermodynamic symbols
Symbol
Meaning
N
Stoichiometry or site-number term under the selected model.
α
Syringe-side active-concentration correction when syringe correction is enabled.
Ka
Association constant.
Kd
Dissociation constant.
Ki
Macroscopic association constant for sequential transition i.
βi
Cumulative sequential association product ∏j=1…iKj.
Fi
Fraction of macromolecule in sequential state MXi.
ν̄
Mean ligand occupancy in the sequential model.
ΔH
Binding enthalpy change.
ΔG
Gibbs free-energy change.
−TΔS
Entropic contribution reported by the application at the evaluation temperature.
ΔCp
Heat-capacity change in a supported temperature-dependent analysis.
q
Integrated injection heat.
σ
Standard uncertainty or spread, according to context.
Offset
Energy-per-mole-of-injectant correction included in the modeled injection heat.
Calculation symbols
Symbol
Meaning
P(t)
Differential power at time t in a thermogram.
b(t)
Estimated baseline at time t.
ni
Amount injected in injection i.
ri
Residual for injection i: observed heat minus model heat.
rjk
Pearson correlation between fitted parameter coordinates j and k.
θbj
Value of fitted coordinate j in complete bootstrap refit b.
σi
Processing-derived uncertainty for injection i.
R
Gas constant.
T
Absolute temperature, in kelvin, for thermodynamic relationships.
I
Ionic strength used in salt analysis.
aion
Ion activity used in Counter Ion Release analysis.
m
Fitted slope in the Protonation relationship; the application reports Protons as −m.
nion
Counter-ion slope reported by Counter Ion Release analysis.
RSS
Raw residual sum of squares, Σri2, over included injections.
Q
Standardized residual sum of squares, Σ(ri/σi)2. Weighted AIC/AICc estimates a common variance multiplier as Q/n.
L
Gaussian likelihood used for AIC/AICc.
p
Number of free fitted parameters in the saved global model; shared coordinates count once and member coordinates count per member.
K
AIC/AICc likelihood parameter count: p + 1 in both weighting modes, including one estimated common residual variance or one estimated multiplier of the injection-error variances.
