Evaluation of a spectral searching algorithm for the comparison of Raman band positions.
Raman spectroscopic identification of unknown materials involves often the comparison of the spectrum of the unknown spectrum with previously recorded reference spectra or data from literature. However, when spectra with many Raman bands or spectra of mixtures are involved, searching can be quite complex. Different chemometrical approaches have been proposed, but these have some drawbacks. Therefore, in this paper a novel approach is proposed, which is based on a multivariate comparison of Raman band positions. Different similarity measures can be used and are evaluated with spectra of test samples that were recorded on different spectrometers, using different laser wavelengths. Moreover, this study evaluates the performances of this algorithm for identifying different compounds in mixtures, by using an iterative approach.
Ghent University, Department of Archaeology, Ghent, Belgium. Peter.Vandenabeele@UGent.be
Peter
P
Vandenabeele
D000465:Algorithms; D004396:Coloring Agents / Q000737:chemistry; D013059:Spectrum Analysis, Raman / Q000379:methods*
D004396:Coloring Agents