view article
Figure 5
Icalc1/2 plotted against Iobs1/2 for the thickest crystal, LATP-3, for reflection data acquired by (a) precession-assisted and (b) continuous-rotation ED. A cubic polynomial (green) was fitted against the reflection data. Reflections lying in a tolerance interval (grey) near the ideal linear condition Iobs1/2 = Icalc1/2 (black) were treated as an acceptable fit. Some reflections that appear clearly affected by a modulated anisotropic background in the corresponding diffraction patterns are labelled (triangular markers). The non-background-corrected diffraction patterns acquired by (c) precession-assisted and (d) continuous-rotation ED from the LATP-3 crystal with the outlier reflection 304 as an example shown in a magnified view. The image contrast on both images has been adjusted to be on the same scale for proper comparison. (g) Histogram of the residual electrostatic potential of NATP-2 on the basis of linearized and non-linearized continuous-rotation data. (h) The (001) plane at a fractional height of z = 0.083 through the linearized Na2-free structure model. Scattering density peaks corresponding to Na2 atoms are marked by crosshairs.

IUCrJ
Volume 13| Part 3| May 2026| Pages 291-303
ISSN: 2052-2525
https://doi.org/10.1107/S2052252526003155