BUCHI NIRCal - Manual (Page 51)

Chemometrics
NIRCal 5.5 Manual, Version A 51
SIMCA Overview Plot
The Overview plot is automatically opened after the SIMCA calculation is finished. Each calibration
has the name:

SIMCA + substance name (property name) selected for the calibration.
The Overview plot contains the following plots:
Plot name Description
1 Pretreated
Spectra using the same pretreatment, as the cluster calibration
2 scores
against PCs scores against the PCs for each spectra in the project
3 scores vs.
scores in this score plot the calibrated substance is around the center (Mean
Centering distance is calculated for only the C-set spectra), each other
spectra, which are not in the calibration, have normally huge score values
4 spectra
residual the residuals of the calibrated substance spectra are normally smaller, as
each other substance residuals
5 residuals vs.
leverages the so-called Coomans plot shows the residuals against the leverages
(leverage is the direct distance of a spectrum in the score plot from the
centrum)
6 NIR-Explorer
For a SIMCA calibration the limits are also called:

Residual : outer model distance;

Leverage : inner model distance.