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Figure 8
(a) Reciprocal-space fiber plots of the first five X-ray diffraction reflections. (b) Real-space fiber plots of the first five PDF peaks. Gaussian fits of the peaks in the fiber plots are shown as solid traces. The fit of the reciprocal 111 reflection at θ = 0° is omitted because of low data quality at that region and poor resolution at low Q after the conversion to polar coordinates. The fit of the real 111 peak at θ = 70.53° is omitted because of a poor fit result due to the low intensity. The intensities of the reciprocal- and real-space fiber plots were retrieved by summing over all intensity values at the Hhkl value of the respective peak ± 0.1 Å−1 from the scattering volume S(Q) and over the rij values of the respective interatomic distance ± 0.1 Å from the txPDF G(r), respectively. Increasing the integration width for the fiber-plot construction does not reduce the high noise in the reciprocal-space fiber plot. All intensities beyond the vertical line at θ = 20° in (a) are multiplied by 5 since intensity values at high θ are hardly visible if put on the same scale as the high intensities at low θ values.

IUCrJ
Volume 9| Part 5| September 2022| Pages 594-603
ISSN: 2052-2525
https://doi.org/10.1107/S2052252522006674