Strathprints: The University of Strathclyde institutional repository (University of Strathclyde)
Bayesian modelling and quantification of Raman spectroscopy
January 2018 • Matthew T. Moores, Kirsten Gracie, Jake Carson, Karen Faulds, Duncan Graham, Mark Girolami
Raman spectroscopy can be used to identify molecules such as DNA by the characteristic scattering of light from a laser. It is sensitive at very low concentrations and can accurately quantify the amount of a given molecule in a sample. The presence of a large, nonuniform background presents a major challenge to analysis of these spectra. To overcome this challenge, we introduce a sequential Monte Carlo (SMC) algorithm to separate each observed spectrum into a series of peaks plus a smoothly-varying baseline, corru…