Getting started

Create conda environment

conda env create -f environment.yml

Activate garnet environment

conda activate garnet

Install in editable mode for developlment

python -m pip install -e .

Run the GUI simply as

garnet

The Single Crystal GARNET project

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 use PyQt for the application.

Code Documentation

https://garnet-neutrons.readthedocs.io/en/latest

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