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Tutorial Overview

The tutorial includes several sub-sections, each demonstrating specific functionalities of the PyXplore package:

  • basic_opt: Demonstrates the basic operations involved in refinement.

  • multi_phases: Introduces the process for refining multi-phase systems.

  • amorphous: Provides a tutorial on analyzing amorphous signals.

  • simulation: Illustrates the simulation features built into the package for refinement purposes.

    Note: For general-purpose diffraction simulation, please refer to the standalone toolkit Pysimxrd.

  • atomic_dis: Shows how to calculate atomic distances based on the radial distribution function derived from diffraction patterns.

  • solid_solution: Demonstrates how to determine solid solution structures using powder XRD.

  • EXAFS: Explains how PyXplore analyzes extended X-ray absorption fine structure (EXAFS) data.

  • XPS: Describes how PyXplore processes X-ray photoelectron spectroscopy (XPS) data.