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Figure 2
Comparison of measured and best-fit calculated PDFs for diffraction images taken at different sample orientations. The blue circles are the experimental PDFs for sample tilt angles ϕ = 1, 11, 45 and 89°, and from the average of the diffraction images from 1 to 89°. The red curves are the best-fit calculated PDFs from an untextured face-centred cubic model. The green curves are the difference between the calculated and measured PDFs. The PDF refinement from the angle-averaged pattern yields a good result with Rw = 13.5%. Among the single-angle PDFs, ϕ = 11° shows the best refinement result (Rw = 18.1%) and ϕ = 89° shows the worst result (Rw = 63.6%) (Fig. S5).

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