The Single Crystal GARNET project documentation

Contents

• Getting Started
• Reference
• Garnet Development Guidelines
• Garnet Design

Overview

Single Crystal Graphical Advanced Reduction Neutron Event Toolkit

Garnets are a group of minerals with high symmetry cubic crystal system with space group Ia-3d (#230). Although they come in many colors, the word comes from a 14th-century Middle English word that has the meaning dark red due to the color of many naturally occurring silicate minerals. Some rare-earth synthetic garnets has recently served as a useful calibration standard used across several beamlines.

The goal of this project is to combine several amorphous tools from many of the instruments into a user-friendly environment for data reduction. The scope of this project only covers reduction post-data collection.

Future development may incorporate live data reduction or analysis, but that is not the focus in this effort.

Scope of covered instruments

• TOPAZ

• MANDI

• CORELLI

• DEMAND

• WAND2

• SNAP

The garnet tool will allow users to select single crystal diffraction data from one (minimally white beam) or more (minimally monochromatic beam) orientations, and transform it into a meaningful form. There exists essential steps of a single crystal data reduction. These include:

• UB matrix determination and refinement for data reduction and experiment planning

• Peak integration and corrections for structure refinement

• Reciprocal space reconstruction for visualization and analysis

• Order parameter tracking and event filtering analysis

Data processing will be based on Mantid and PyQt for the application.

More information about diffraction can be found on the ORNL Single Crystal Diffraction page.

Note

This project is under active development.