Examples

Real-world examples and use cases for XRayLabTool.

Note

Interactive examples will be added in future releases.

Interactive Examples

These examples include downloadable Jupyter notebooks and Python scripts demonstrating applications of XRayLabTool.

Quick Start Examples: - Interactive tutorial with examples - Simple calculations and common materials - Single energy calculations - Energy range analysis - Formula parsing and validation

Application Examples: - Beamline design and optimization - X-ray optics and substrate selection - Component characterization - High-throughput property screening

Example Categories

By Complexity:

Level	Topics Covered	Prerequisites
Beginner	Single materials, basic CLI usage	Python basics
Intermediate	Batch processing, energy analysis	NumPy, Matplotlib
Advanced	Optimization, integration workflows	Scientific computing

By Application Domain:

Domain	Example Applications
Synchrotron Science	Beamline design, monochromator selection, filter optimization
X-ray Optics	Mirror substrates, multilayer coatings, focusing elements
Materials Research	Property screening, comparative analysis, database studies
Education	Physics demonstrations, computational exercises

Notebook Links

These notebooks are provided as downloadable files (not embedded in the docs). Open them directly in Colab or nbviewer:

Notebook	Run in Colab	View (nbviewer)	Download
Getting Started	Open in Colab	nbviewer	Download (.ipynb)
Basic Examples	Open in Colab	nbviewer	Download (.ipynb)

Running the Examples

Download Notebooks: All examples are available as Jupyter notebooks:

# Clone the repository to get examples
git clone https://github.com/b80985/pyXRayLabTool.git
cd pyXRayLabTool/examples

Required Dependencies: Install additional packages for running examples:

pip install jupyter matplotlib pandas seaborn

Interactive Execution:

jupyter notebook examples/

Standalone Scripts: Many examples also work as standalone Python scripts:

python examples/basic_calculations.py

Example Data

Included Datasets: - materials_database.csv - Common materials with densities - synchrotron_energies.csv - Typical beamline energy ranges - mirror_substrates.csv - X-ray mirror material properties - test_compounds.csv - Chemical formulas for validation

Custom Data: Examples show how to: - Import your own material lists - Create custom energy ranges - Export results in various formats - Integrate with other analysis tools

Performance Demonstrations

Speed Comparisons: - Single vs batch processing efficiency - Energy array vs individual calculations - Memory usage optimization techniques - Cache performance benefits

Scaling Analysis: - Performance vs dataset size - Memory requirements for large calculations - Optimization strategies for different use cases

Best Practices

Examples demonstrate:

1. Efficient Workflows: - When to use batch processing - Energy range optimization - Memory management for large datasets

2. Error Handling: - Input validation strategies - Graceful error recovery - Results verification methods

3. Data Management: - Organizing material databases - Version control for datasets - Documentation and metadata

4. Integration: - Using XRayLabTool with other tools - Automation and scripting - Web application development

Contributing Examples

Community-contributed examples:

Submission Guidelines: 1. Format: Jupyter notebook with clear documentation 2. Scope: Focused on specific applications or techniques 3. Testing: Include data validation and expected results 4. Documentation: Explain the scientific context and methods

Example Template:

"""
Example: Silicon Properties Analysis

Description: Calculate X-ray properties for silicon substrate
Application: X-ray mirror design and optics
Level: Beginner
Dependencies: None (basic XRayLabTool functionality)
"""

import xraylabtool as xlt

# Calculate properties for silicon at 8 keV
result = xlt.calculate_single_material_properties("Si", 8.0, 2.33)
print(f"Critical angle: {result.critical_angle_degrees[0]:.3f}°")

Submission Process: 1. Fork the repository on GitHub 2. Add your example to the examples/ directory 3. Include documentation and test data 4. Submit a pull request with description

Getting Help

For Example Issues: - Check the notebook outputs for expected results - Verify your XRayLabTool installation and version - Review the prerequisites and dependencies - Use GitHub Issues for bug reports

For Application Questions: - Join the discussion on GitHub Discussions - Reference the scientific literature cited in examples - Contact domain experts in the community

For Custom Applications: - Start with the closest existing example - Refer to the API documentation for detailed function information - Consider contributing your solution back to the community