Although the near-infrared (NIR) was the first non-visible region discovered in the absorption
spectrum (by Herschel in 1800) 1–3 analytical chemists made little use of it until the 1950s …

The limited coverage of data analysis and statistics offered in most undergraduate and
graduate analytical chemistry courses is usually focused on practical aspects of univariate …

The crucial step of building a high performance QSAR/QSPR model is the detection of
outliers in the model. Detecting outliers in a multivariate point cloud is not trivial, especially …

Inertial measurement units (IMUs) are increasingly utilized as motion capture devices in
human movement studies. Given their high portability, IMUs can be deployed in any …

The effect of data pre-processing (no pre-processing, offset correction, de-trending, standard
normal variate transformation (SNV), SNV+ de-trending, multiplicative scatter correction, first …

SIMCA (soft independent modelling of class analogy) is a well known pattern recognition
method which describes each class separately in a principal components (PC) space. New …

The unreliability of multivariate outlier detection techniques such as Mahalanobis distance
and hat matrix leverage has been known in the statistical community for well over a decade …

Two orthogonal signal correction methods (OSC and DOSC) were applied on a set of 83
roasted coffee NIR spectra from varied origins and varieties in order to remove information …

Die Anwendung multivariater statistischer Verfahren auf umfangreiche Datensätze
vornehmlich aus der analytischen Chemie ist das zentrale Thema des Buches. Das …

Soft independent modelling of class analogy (SIMCA) is applied to identify near-infrared
(NIR) spectra of ten excipients used in the pharmaceutical industry. For each class at least …