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Figure 5
Demonstration of the effects of using the wrong parameters when fitting using a Gaussian resolution function [equation (26[link]), values of the width parameter σ given in each plot], simulated using synthetic data for andalusite. The black curves represent the original synthetic D(r) function for andalusite, the red curves show the reconstructed PDFs and the blue curves give the differences. The middle figure, σ = 0.03 Å−1, is for the correct value of σ.

Journal logoJOURNAL OF
APPLIED
CRYSTALLOGRAPHY
ISSN: 1600-5767
Volume 58| Part 4| August 2025| Pages 1269-1287
https://doi.org/10.1107/S1600576725004340
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