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neutrons/garnet

The Single Crystal GARNET project

CI codecov Documentation Status

Full documentation available at https://garnet-neutrons.readthedocs.io/en/latest

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 use PyQt for the application.

Getting Started

To get started, you will need to have pixi installed. If you don't have it installed, you can follow the instructions on the pixi installation page.

Clone the repository and setup the environment

git clone [email protected]:neutrons/garnet.git
cd garnet
pixi install

Installing, you can run Garnet from the project root directory as:

$ pixi shell
$ garnet

# or simply
$ pixi run garnet

To run Garnet tests from the project root directory:

pixi run test

Several pixi tasks are available for convenience, and can be listed by running:

pixi task list

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The Single Crystal Graphical Advanced Reduction Neutron Event Toolkit Project

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