BUCHI NIRCal - Manual (Page 133)

Chemometrics
NIRCal 5.5 Manual, Version A 133
Formula 2; Blow Up limit = 1 Formula 2; Blow Up limit = 2
Reducing the radii results more selective calibration but increases the danger to get separated cluster
for the same substances (Cluster / Property> 1).
3.12 Outlier Detection
Menu: Calibration / Outlier Detection / Advanced
Icon:
Outliers are spectra, that differentiate strongly from spectra of the same class. They can be detected
visually, check the spectra in the menu Graphics, in the calibration curve or in e.g. score
plots;
statistically with the "Outlier Detection" module.
The principle of the calculation with the advanced "Outlier Detection" is explained for the residual
outliers.
The average (mean) and the standard deviation (stdev) of the C-Set residuals are calculated. Each
spectrum outside the confidence interval will be sorted as outliers, they are stored in the NIR-Explorer.