Mapping data between sample and detector conjugated spaces in Bragg coherent diffraction imaging.

Area of Science:

• Materials Science
• Crystallography
• Imaging Techniques

Background:

• Bragg coherent X-ray diffraction imaging (BCDI) enables non-destructive, nanoscale strain imaging in micro-crystals.
• Accurate mapping of experimental data from detector coordinates to sample-attached coordinates is challenging due to varying beamline conventions.
• Existing reconstruction and mapping scripts are often beamline-specific and not easily transferable.

Purpose of the Study:

• To develop a universal simulation framework for BCDI data.
• To overcome the challenge of coordinate mapping across different BCDI beamlines.
• To create a flexible toolkit for BCDI data analysis and simulation.

Main Methods:

• A BCDI experiment simulation incorporating a plugin script was developed.
• The script converts all beamline angles to a universal, right-handed coordinate frame using three rotation matrices.
• The simulation translates 3D objects to different BCDI coordinate frames and generates synthetic diffraction data.

Main Results:

• A universal coordinate frame simplifies data mapping for BCDI experiments.
• The simulation allows for the generation of synthetic data compatible with existing reconstruction algorithms.
• Provided scripts facilitate mapping between sample and detector spaces for various reflections and geometries.

Conclusions:

• The developed simulation toolkit offers a flexible and adaptable solution for BCDI data analysis.
• This approach standardizes data handling, making BCDI more accessible to new users.
• The tool is expected to aid in phasing challenging data and exploring novel BCDI geometries and data collection methods.