Impact of dataset diversity on accuracy and sensitivity of parallel factor analysis model of dissolved organic matter fluorescence excitation-emission matrix

Abstract

Parallel factor (PARAFAC) analysis enables a quantitative analysis of excitation-emission matrix (EEM). The impact of a spectral variability stemmed from a diverse dataset on the representativeness of the PARAFAC model needs to be examined. In this study, samples from a river, effluent of a wastewater treatment plant, and algae secretion were collected and subjected to PARAFAC analysis. PARAFAC models of global dataset and individual datasets were compared. It was found that the peak shift derived from source diversity undermined the accuracy of the global model. The results imply that building a universal PARAFAC model that can be widely available for fitting new EEMs would be quite difficult, but fitting EEMs to existing PARAFAC model that belong to a similar environment would be more realistic. The accuracy of online monitoring strategy that monitors the fluorescence intensities at the peaks of PARAFAC components was examined by correlating the EEM data with the maximum fluorescence (F max) modeled by PARAFAC. For the individual datasets, remarkable correlations were obtained around the peak positions. However, an analysis of cocktail datasets implies that the involvement of foreign components that are spectrally similar to local components would undermine the online monitoring strategy.