orGUI Documentation

orGUI is a GUI and analysis toolkit for surface X-ray diffraction data from large 2D detectors.

Contents:

• Installation
  • Data Loading
• GUI Overview
  • 1. Menu Bar
  • 2. Scan Data Dock
  • 3. File, Scan, And Backend Controls
  • 4. Main Image Plot
  • 5. View Tabs
  • 6. Image Toolbar
  • 7. Image Navigation
  • 8. Reference Reflections
  • 9. UB And HKL Tools
  • Typical First Workflow
• Startup And Configuration
  • Configuration File Overview
  • Full Configuration Example
  • Machine Section
  • Lattice Section
  • Diffractometer Section
  • Backend Section
  • Settings Section
  • Mask Sections
  • Crystal File Options
• Beamline Backends
  • Using A Backend
  • What A Backend Does
  • Required Scan Attributes
  • Required Scan Methods
  • How a Scan Is Identified
  • Listing Scans for the Segmented Scan Loader
  • Image Objects
  • Auxiliary Counters
  • Minimal Backend Skeleton
  • Example Backend Patterns
  • Implementation API
• orGUI Geometry
  • Reference Frames
  • Detector Geometry
  • Diffraction Equation
  • Momentum Transfer and the Q-Plot
  • Further Reading
• Setting the UB Matrix
  • Manual Reflection Setting
  • Automatic UB Setting
• Image Integration
  • Stationary Reciprocal-Space Integration
  • Fixed-Pixel Integration
  • Rocking Reciprocal-Space Integration
  • Rocking Bragg Integration
  • Masks, Backgrounds, and Corrections
• Reciprocal-Space Reconstruction
  • Installation
  • Opening the Workflow
  • Experiment Parameters
  • Output Grid Parameters
  • HDF5 Settings
  • Accuracy Parameters
  • Performance Parameters
  • Correction and Variance Model
  • Voxel Accumulation
  • Out-of-Core Execution
  • Paths
  • Command-Line Execution
  • Cluster Batch Execution
  • Job Descriptor Reference
  • Output File Layout
  • Diagnostic Environment Variables
  • Practical Guidance
• Acceleration Backends
  • ROI Integration
  • CTR Structure Factors
• Entry Points
  • Command Line
  • GUI Mode
  • CLI Mode
  • Startup Script Namespace
  • Example: Setup Function
  • Example: Batch Processing Script
  • Example: Cluster Array Processing
  • Batch Processing Notes
• CTR Structure-Factor and DWBA Benchmark
  • Setup
  • Backend Selection
  • Benchmark Helpers
  • Warmup and Correctness Check
  • Uncached Structure-Factor Backends
  • Benchmark Results
  • Uncached DWBA versus Kinematic Calculation
• Unit-Cell Electron-Density C++ Benchmark
  • Setup
  • Benchmark Helpers
  • Correctness Check
  • Benchmark Electron-Density Profiles
  • Benchmark Results
• ROI Sum Acceleration Benchmark
  • Setup
  • Backend Selection
  • Benchmark Helpers
  • Correctness Check
  • ROI Count Sweep
  • ROI Count Results
  • Threaded Disk-Image Sweep
  • Threaded Results
• API
  • Loading, plotting, and fitting CTR measurements
  • CTR Structure-Factor Normalization
  • Distorted-Wave Born Approximation (DWBA)
  • CTR Resolution Modeling
  • Wyckoff Symmetry And Fitting
  • GUI API
  • Backend API
• Release Notes
  • Unreleased (2026-07-19)
  • 1.5.0 (2026-06-07)
  • 1.5.0-rc.1 (2026-05-15)
  • 1.4.1 (2026-03-27)
  • 1.4.0 (2026-01-20)
  • 1.3.0 (2025-07-22)
  • 1.2.0 (2024-12-03)
  • 1.1.2 (2024-11-04)
  • 1.1.1 (2024-08-07)
  • 1.1.0 (2024-08-05)
  • 1.0.1 (2024-07-31)
  • 1.0.0 (2024-06-29)
  • 0.9-alpha (2024-06-29)
• Developer Documentation
  • Release Procedure