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 cloudEMAPS2.0 and can also be used as a fully functional Python package.

Current features include:

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, kinematical

  • Selected area diffraction

  • Kikuchi and high order Laue zone line geometry

  • Convergent beam electron diffraction

  • Electron powder diffraction simulations

Electron diffraction pattern, dynamical

  • Convergent beam electron diffraction

  • Electron scattering Matrix

  • Electron dispersion

New features in PREVIEW (starting from v1.0.2)

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

pyemaps is currently under active production/stable development phase.

Note

Developer

Pyemaps is developed by EMLab Solutions, Champaign, IL for non-commercial 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.