nbragg Documentation

Overview

nbragg is a powerful Python package designed for advanced analysis of neutron Bragg edge data using NCrystal cross-sections. It provides researchers and scientists with a comprehensive toolset for in-depth neutron transmission research.

Key Features

• Advanced Cross-Section Calculations: Seamless integration with NCrystal for precise material cross-section modeling

• Flexible Response Modeling: Built-in tools for instrument response and background function estimation

• Powerful Fitting Capabilities: Leveraging lmfit for sophisticated, non-linear parameter optimization

• Versatile Material Analysis: * Support for non-oriented powder samples * Multi-phase oriented material characterization

• Comprehensive Visualization: Integrated plotting utilities for intuitive data representation

• Pythonic Design: Clean, intuitive API for ease of use

Getting Started

Getting Started:

• Installation
  • From Source
  • Dependencies
  • Optional Dependencies
• Quickstart
  • Basic Usage
  • Key Concepts

User Guide:

• User Guide
  • Basic Usage
  • Grouped Data Fitting
  • Model Parameters
  • Saving and Loading Fits
  • Crystal Orientation in nBragg
  • Crystal Orientation in nBragg
  • Crystal Orientation Quick Reference
  • MTEX Integration
  • Advanced Fitting
  • Quick Links
  • Overview
  • What’s New
  • Getting Help
• Basic Usage
  • Quick Example
  • Data Loading
  • Defining Materials
  • Creating Models
  • Fitting Data
  • Analyzing Results
  • Setting Parameter Values
  • Next Steps
• Model Parameters
  • Overview
  • Parameter Categories
  • Common Patterns
  • Parameter Bounds and Constraints
  • Troubleshooting
  • See Also
• Crystal Orientation in nBragg
  • Understanding Crystal Orientation
  • Quick Start
  • Why Orientation Matters
  • Coordinate System Convention
  • Documentation Structure
  • Getting Started
  • Common Use Cases
  • Key Concepts
  • Mathematical Framework
  • Next Steps
  • Additional Resources
  • Questions?
• MTEX Integration
  • Overview
  • Quick Start
  • Material Specification
  • CSV Format
  • Orientation Representation
  • Phase Naming
  • Complete Example
  • Advanced Usage
  • Troubleshooting
  • Integration Checklist
  • See Also
• Advanced Fitting
  • Multi-Stage Refinement
  • Custom Stage Definitions
  • See Also

Examples & Reference:

• Iron Powder Example
  • Dataset Overview
  • Data Preparation
  • Cross-Section Configuration
  • Model Creation and Fitting
  • Visualization
  • Fit Summary
  • Fit Statistics
  • Parameters
  • Correlations
  • Key Observations
  • Additional Notes
• API Reference
  • Data Handling
  • Cross-Section
  • Transmission Model
  • Utilities
  • Response Functions
• License
  • MIT License

Quick Links

• GitHub Repository

• PyPI Package

Indices and Tables

• Index

• Module Index

• Search Page

Citing nbragg

If you use nbragg in your research, please cite our package and provide a link to the GitHub repository.