Continuous-rotation 3D electron diffraction methods are increasingly popular for the structure analysis of very small organic molecular crystals and crystalline inorganic materials. Dynamical diffraction effects cause non-linear deviations from kinematical intensities that present issues in structure analysis. Here, a method for structure analysis of continuous-rotation 3D electron diffraction data is presented that takes multiple scattering effects into account. Dynamical and kinematical refinements of 12 compounds—ranging from small organic compounds to metal–organic frameworks to inorganic materials—are compared, for which the new approach yields significantly improved models in terms of accuracy and reliability with up to fourfold reduction of the noise level in difference Fourier maps. The intrinsic sensitivity of dynamical diffraction to the absolute structure is also used to assign the handedness of 58 crystals of 9 different chiral compounds, showing that 3D electron diffraction is a reliable tool for the routine determination of absolute structures.

连续旋转 3D 电子衍射方法在非常小的有机分子晶体和结晶无机材料的结构分析中越来越受欢迎。动态衍射效应会导致运动学强度出现非线性偏差，从而在结构分析中出现问题。在这里，提出了一种考虑多重散射效应的连续旋转 3D 电子衍射数据的结构分析方法。比较了 12 种化合物（从小型有机化合物到金属有机骨架再到无机材料）的动力学和运动学改进，新方法在准确性和可靠性方面显着改进了模型，并将噪声水平降低了四倍差分傅立叶图。