Quantitative Structure Determination, Terzoudis-Lumsden, et al. (2025), code and data

Considerable inroads have recently been made on algorithms to determine the sample potential from four-dimensional scanning transmission electron microscopy data from thick samples where multiple scattering cannot be neglected. This paper further develops the scattering matrix approach to such structure determination. Through simulation, we demonstrate how this approach can be modified to better handle partial spatial coherence, unknown probe defocus, and information from the dark field region. By combining these developments we reconstruct the electrostatic potential of a monolithic SrTiO3 crystal showing good quantitative agreement with the expected structure. This repository contains the experimental datasets and code needed to reproduce the experimental reconstructions shown in Figures 8 & 9 of the paper titled "Quantitative structure determination from experimental four-dimensional scanning transmission electron microscopy via the scattering matrix"