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Dinnebier, Robert; Scardi, Paolo
Journal of applied crystallography, June 2023, Volume: 56, Issue: 3Journal Article
This article is the second part of a series dealing with the description and visualization of mathematical functions used to describe a powder diffraction pattern for teaching and education purposes. The first part dealt with the instrumental and sample contributions to the profile of a Bragg peak Dinnebier & Scardi (2021). J. Appl. Cryst.54, 1811–1831. The second part, here, deals with the mathematics and physics of the intensity in X‐ray powder diffraction. Scholarly scripts are again provided using the Wolfram language in Mathematica. The most commonly used functions for calculating or correcting step‐scan and integrated intensities of a powder diffraction pattern are presented in an educational manner with the support of Mathematica scripts. The scripts can be easily used by interested readers to explore the effects of different instrumental and sample parameters.
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