Prediction of emission spectra of fluorescence materials using principal component analysis

Abstract

AbstractFluorescent materials are now a critical field of research due to their unique excitation and emission properties that can be tailored to specific fluorescence detection technologies. In this work, a procedure is described to approximate the emission spectral data of fluorescent materials of different types from their excitation spectral data using principal component analysis (PCA) technique. First, PCA as a statistical and mathematical method was used to reconstruct the excitation and emission spectra of training dataset and then, the approximation was accomplished by multiple linear regression (MLR).The performance of obtained function was examined on testing dataset. Afterward, CIE tristimulus values of the fluorescent samples were calculated based on ASTM, E2152–12 standard test method. The colorimetric accuracy was then evaluated by calculating the geometric differences in CIE tristimulus values X, Y, and Z for the 1964 standard colorimetric observer under illuminant D65. The obtained results show a good curve fit between the actual emission spectra and recovered emission spectra. In addition, based on cumulative variance and root mean square (RMS), eight principal components were selected as optimum number of principal components for prediction of emission spectra data. © 2015 Wiley Periodicals, Inc. Col Res Appl, 41, 16–21, 2016