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Variance and centroid optimization in X-ray powder diffraction analysis

Published online by Cambridge University Press:  10 January 2013

G. Berti
G. Berti
Affiliation:
Dipartimento Di Scienze Della Terra, Universita' Di Pisa, Via S. Maria 53-56100 Pisa, Italy
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Abstract

Line profiles of a powder diffraction pattern and the aberrations which affect the centroid and the variances of the peaks have been analyzed using the visualization in scientific computing (ViSC) systems. The constrained optimization of those aberrations has been derived from the theory developed by Wilson (1963). It allows the determination of systematic instrumental effects and gives indication of other diffraction effects related to the samples. The CuKβ radiation was used to process the experimental data directly as it is comprised of only one single wavelength.

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Type
Research Article
Information
Powder Diffraction , Volume 8 , Issue 2 , June 1993 , pp. 89 - 97
Copyright
Copyright © Cambridge University Press 1993

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