A0156
Title: Spatial smoothing of Raman spectra sampled on a regular grid
Authors: Kevin Hayes - University of Limerick (Ireland) [presenting]
Darren Whitaker - University of Limerick (Ireland)
Abstract: The pharmaceutical manufacturing industry routinely uses advanced soft sensor technologies to monitor and control product quality. For the data under consideration, the pharmaceutical ingredients were blended and compacted into 12 mm diameter tablets, and on each tablet 407 individual spectra in the range 1230 to 1330 cm$^{-1}$ were recorded at 500 $\mu$m intervals on a regular lattice. The objective is to model the spatial dependence between these intrinsically functional data measurements and indirectly evaluate the spatial distribution of the active pharmaceutical ingredient through the tablet. Also of interest is the efficiency of sampling protocol used. We apply linear dynamic smoothing to the spectra individually and submit the estimated parameters of the associated (second-order) differential equations to treatment by classical multivariate geostatistical methodologies.
