Affiliation:
1. Institute for Inorganic Chemistry and Crystallography, University of Bremen, FB2, Leobener Str., NW2, 28359 Bremen, Germany; and MAPEX Center for Materials and Processes, Bibliotheksstraße 1, 28359 Bremen, Germany
Abstract
Abstract
The autocorrelation method, proposed at first by [E. K. K. H. Salje, M. I. A. Carpenter, T. H. Malcherek, T. Boffa Ballaran, Eur. J. Min.
2000, 12, 503.] for the evaluation of FTIR data, is an efficient method the evaluation of data depending on external parameters like temperature, pressure, chemical composition etc. In this study a new single parameter value λ′(ω′) is proposed which is computational more efficient with a higher reproducibility than the Δcorr parameter proposed earlier. The method is additionally transferred from Fourier transform infrared (FTIR) spectroscopy to X-ray diffraction data. It is shown that the autocorrelation method has some beneficial properties compared to the often used Pearson’s r-value.
Subject
Inorganic Chemistry,Condensed Matter Physics,General Materials Science
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