Overview

pyEMAPS package is a collection of python modules and libraries designed for transmission electron diffraction simulations and related crystallographic calculations for all crystal systems. The simulation is based on the theories of kinematical and dynamical electron diffraction, as described by Spence and Zuo in the book of Electron Microdiffraction (Plenum, New York, 1992).

PyEMAPS serves as the backbone of cloudEMAPS on premise and can also be used as a fully functional standalone Python package.

The base version is free for personal and commercial use, while additional licensed features in 4DSTEM are available for enhanced functionality.

Features

Free base features:

  • Crystallography

    • Crystal constructor

    • Loading from a built-in crystal library

    • CIF import

    • Crystallographic transformations

    • Real and reciprocal vector calculations

    • Stereodiagram plotting

    • Crystal Structure Factors Calculations

  • Electron diffraction pattern, dynamical

    • Convergent beam electron diffraction

    • Electron scattering Matrix

    • Electron dispersion

  • Electron diffraction pattern, kinematical

    • Selected area diffraction

    • Kikuchi and high order Laue zone line geometry

    • Convergent beam electron diffraction

    • Electron powder diffraction simulations

Extended features (requires License Activation):

  • Electron diffraction patterns database builder and explore

  • Electron diffraction pattern indexing

  • Annular bright and dark field

  • Masked images

In development

  • Coherent convergent beam electron diffraction

  • Electron image simulation

  • Pendellösung calculation

  • Electron diffraction orientation mapping

Implementation

pyEMAPS is implemented as the object-oriented python modules supported by compiled Fortran 90 libraries that handle the backend computations.

Check out the Getting Started section for further information, including how to install pyEMAPS package.

Note

Developer Contributors Wanted

Pyemaps is developed by EMLab Solutions, Champaign, IL for microscopy and crystallography research and education. We welcome community input, contributions, and donations PayPal. Your generous support will help the development of free software to the electron microscopy and research communities.