SUePDF: a program to obtain quantitative pair distribution functions from electron diffraction data

• Published in: Journal of applied crystallography Vol. 50; no. 1; pp. 304 - 312
• Main Authors: Tran, Dung Trung, Svensson, Gunnar, Tai, Cheuk-Wai
• Format: Journal Article
• Language: English
• Published: 5 Abbey Square, Chester, Cheshire CH1 2HU, England International Union of Crystallography 01.02.2017; Blackwell Publishing Ltd
• Subjects: Computer Programs; Crystallography; Diffraction; disorder; Distribution functions; Electron diffraction; Electron scattering; Mathematical models; Matlab; Microscopes; pair distribution functions; Probability density functions; Scattering; Software; transmission electron microscopy; pair distribution functions; disorder; transmission electron microscopy; electron diffraction
• ISSN: 1600-5767; 0021-8898; 1600-5767
• DOI: 10.1107/S160057671601863X

SUePDF is a graphical user interface program written in MATLAB to achieve quantitative pair distribution functions (PDFs) from electron diffraction data. The program facilitates structural studies of amorphous materials and small nanoparticles using electron diffraction data from transmission electron microscopes. It is based on the physics of electron scattering as well as the total scattering methodology. A method of background modeling is introduced to treat the intensity tail of the direct beam, inelastic scattering and incoherent multiple scattering. Kinematical electron scattering intensity is scaled using the electron scattering factors. The PDFs obtained after Fourier transforms are normalized with respect to number density, nanoparticle form factor and the non‐negativity of probability density. SUePDF is distributed as free software for academic users. SUePDF is software to convert electron diffraction data to quantitative pair distribution functions.