nxs-analysis-tools

Overview

nxs-analysis-tools is a toolkit for managing and analyzing single crystal scattering datasets that have already been processed and stored in the NeXus file format (.nxs). Some notable functionalities are facile plotting of arbitrary reciprocal space planes with the correct angle between axes, data symmetrization, an all-in-one class for difference pair distribution function analysis (delta-PDF), data rotations, linecuts, rebinning, and even interactive / animated plots for an easier exploration of reciprocal space. For data output from data reduction tools like NXRefine, this package also provided a means to analyze an entire temperature series of scattering data at once, allowing for easier analysis of temperature-dependent features in the data.

Contents

• Examples
  • Loading CHESS data
  • Visualizing data using the plot_slice function
  • Creating animations
  • Performing linecuts using the Scissors class
  • Fitting linecuts using the lmfit package
  • Performing a linecut in an arbitrary direction
  • Visualizing CHESS temperature dependent data
  • Fitting CHESS temperature dependent linecuts
  • Extracting an Order Parameter
  • Symmetrizing data using the Symmetrizer classes
  • Extracting Delta-PDF maps from diffuse scattering
• API Reference
  • datareduction
  • chess
  • fitting
  • pairdistribution
• License

License

This project is licensed under the MIT License.

GitHub

Visit the GitHub repo at https://github.com/stevenjgomez/nxs_analysis_tools.