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eMap and eSlice: a software package for crystallographic computing
Stockholm University, Faculty of Science, Department of Materials and Environmental Chemistry (MMK).
2011 (English)In: Crystal research and technology (1981), ISSN 0232-1300, E-ISSN 1521-4079, Vol. 46, no 6, 569-579 p.Article in journal (Refereed) Published
Abstract [en]

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.

Place, publisher, year, edition, pages
2011. Vol. 46, no 6, 569-579 p.
Keyword [en]
electron diffraction, simulations, multislice refinement
National Category
Chemical Sciences
Identifiers
URN: urn:nbn:se:su:diva-67840DOI: 10.1002/crat.201100052ISI: 000292055500006OAI: oai:DiVA.org:su-67840DiVA: diva2:471710
Note
authorCount :1Available from: 2012-01-02 Created: 2012-01-02 Last updated: 2017-12-08Bibliographically approved

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