Determination of total antioxidant capacity in green tea by near-infrared spectroscopy and multivariate calibration.
A principal component regression (PCR) model is built for prediction of total antioxidant capacity in green tea using near-infrared (NIR) spectroscopy. The modelling procedures are systematically studied with the focus on outlier detection. Different outlier detection methods are used and compared. The root mean square error of prediction (RMSEP) of the final model is comparable to the precision of the reference method.
Zhang
M H
MH
ChemoAC, Pharmaceutical Institute, Vrije Universiteit Brussel, Laarbeeklaan 103, B-1090 Brussels, Belgium.
Luypaert
J
J
Fernández Pierna
J A
JA
Xu
Q S
QS
Massart
D L
DL