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Figure 1
Redrawn version of Fig. 1[link] of Peterson et al. (2021BB11) with corrected limiting values and scaling. The figure shows the comparison between various reciprocal-space neutron total scattering data from MnO: (a), (b) S(Q); (c), (d) FPDF(Q); and (e), (f) FK(Q). The upper plots show an overview of the various functions, although the height of the Bragg peaks is mostly dictated by the width of the resolution function used (the same width was used in all plots). The asymptotes at high and low Q are highlighted with red dashed lines and pertinent values are given in Table 4. The low-Q limit of FPDF(Q) is a sloped line which only remains linear for an extended range of Q because these are synthetic data with infinite sample size (and no magnetic contribution). However, the same behaviour holds true for highly ordered BaTiO3 in Fig. 2. Note that contributions from the terms involving η for MnO are effectively zero on the scale of these figures.

Journal logoJOURNAL OF
APPLIED
CRYSTALLOGRAPHY
ISSN: 1600-5767
Volume 54| Part 5| October 2021| Pages 1542-1545
https://doi.org/10.1107/S1600576721007664
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