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eMap and eSlice: a software package for crystallographic computing
Author(s) -
Oleynikov P.
Publication year - 2011
Publication title -
crystal research and technology
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.377
H-Index - 64
eISSN - 1521-4079
pISSN - 0232-1300
DOI - 10.1002/crat.201100052
Subject(s) - electron crystallography , electron diffraction , crystallography , diffraction , reciprocal lattice , visualization , high resolution transmission electron microscopy , electron , electron density , graphics , reflection high energy electron diffraction , physics , chemistry , computer science , computer graphics (images) , optics , quantum mechanics , artificial intelligence
Abstract eMap is an easy‐to‐use suite of computer programs devoted for crystallographic calculations in X‐ray diffraction and electron crystallography. It is used in several key activities: (1) Kinematical structure factors calculation for electrons and X‐rays. (2) Calculation and visualization of 3D electron density/potential maps and peak search in the generated maps. (3) Visualization of reciprocal space in different modes (X‐rays, selected area electron diffraction, Kikuchi lines and bands, electron diffraction precession, etc.). (4) Simulation of HRTEM images and dynamical electron diffraction patterns by multislice method and convergent beam electron diffraction patterns by Bloch‐wave method. (5) Crystal structure refinement from the electron diffraction patterns taking dynamical effects into account. The user‐friendly graphical user interface facilitates the loading or manual data input, and visualization of intermediate and final results in form of 3D graphics or 2D images, plots, and diagrams. (© 2011 WILEY‐VCH Verlag GmbH & Co. KGaA, Weinheim)