Fig. 3

From top to bottom, the rows contain results relating to an ideal crystal, a relaxed crystal and a thermal average of crystals. Each of the panels show a small section of the corner between two {111} facets. Along the columns we show: a the projected positions of the atoms, all the positions used in the thermal average are included. b Intensities of the exit waves. c Simulated images for a defocus \(\Delta f = 14.5\) nm. d The true planar strain, \(\epsilon _{\text{p},\,{\text{true}}}\), i.e. the strain calculated directly from the projected positions of the model crystal. The colour coding shared by all the columns is shown to the right of the figure. e The measured planar strain, \(\epsilon _{{\text{p}},\,{\text{measured}}}\), i.e. strain calculated from the measured positions of the intensity maxima in simulated images. f The measurement error of the planar strain, \({\mathrm {error}}(\epsilon _p)\), calculated as the difference between the strain shown in the two preceding columns