Application of singular value decomposition analysis to time-dependent powder diffraction data of anin-situphotodimerization reaction

Abstract

A successful application of singular value decomposition analysis to time-dependent powder diffraction data of an in-situ photodimerization reaction of some anthracene derivatives is presented.

Revealing Kinetics of Paracetamol Crystallization Using Time-Resolved Raman Spectroscopy, Orthogonal Time-Lapse Photography, and Non-Negative Matrix Factorization (OSANO)

“…Several articles exist about solving the non-negative matrix factorization problem. The standard methods apply singular value decomposition to decompose time-resolved data V into a time-dependent matrix χ and a time-independent matrix W . − Singular value decomposition is also useful for reducing the noise in time-resolved spectra . However, the solution of the problem V = χ W is not unique.…”

Study of diffraction data sets using factor analysis: a new technique for comparing mineralogical and geochemical data and rapid diagnostics of the mineral composition of large collections of rock samples

“…These methods serve to solve a wide range of tasks, e.g. : (1) analyzing large (thousands of spectra) datasets and increasing the efficiency of data collection (Kirian et al ., 2011; Angeyo et al ., 2012; Voronov et al ., 2014; Palin et al ., 2015; Guccione et al ., 2018); (2) determining the relations between developments in XRD data and other systematically changing properties (strength, viscosity, and volume) (Westphal et al ., 2015); (3) estimating the number of phases in the system and identifying each phase (Artyushkova and Fulghum, 2001; Caliandro et al ., 2013; Manceau et al ., 2014); (4) reducing the influence of the signal-to-noise ratio (Sastry, 1997; Schmidt et al ., 2003; Chen et al ., 2005; Walton and Fairley, 2005); (5) investigating the orientation and morphology of crystalline phases (Matos et al ., 2007); (6) tracking the development of complex processes of compositional and structural alterations in a multicomponent system (Westphal et al ., 2015); (7) performing the analysis of time-resolved experimental data (Schmidt et al ., 2003; Mabied et al ., 2014); (8) extracting kinetic information (the activation energy, the frequency factor, the reaction order, etc.) (Palin et al ., 2016; Guccione et al ., 2018).…”