Related Experiment Video
Updated: Aug 10, 2025
10:12
Synchrotron X-ray Microdiffraction and Fluorescence Imaging of Mineral and Rock Samples
Published on: June 19, 2018
9.1K
HAT: a high-energy surface X-ray diffraction analysis toolkit
Gary S Harlow1,2, Sebastian Pfaff3, Giuseppe Abbondanza2
1Department of Chemistry and Biochemistry and the Oregon Center for Electrochemistry, University of Oregon, Eugene, OR 97403, USA.
Journal of Applied Crystallography
|February 13, 2023
Summary
This study presents HAT, a new Python software for analyzing high-energy surface X-ray diffraction (HESXRD) data. It simplifies processing large datasets, enabling easier exploration and analysis of reciprocal space maps and crystal truncation rods.
Area of Science:
- Materials Science
- Crystallography
- Data Analysis Software
Background:
- High-energy surface X-ray diffraction (HESXRD) generates massive datasets from large-area detectors.
- Analyzing these extensive HESXRD datasets is computationally intensive and complex.
- Efficient tools are needed for extracting meaningful crystallographic information.
Purpose of the Study:
- Introduce the High-energy surface X-ray diffraction analysis toolkit (HAT).
- Provide an open-source, cross-platform software for HESXRD data processing.
- Facilitate interactive exploration and analysis of HESXRD data.
Main Methods:
- Developed HAT using Python as an open-source, cross-platform software package.
- Implemented an optimized reciprocal space binner with a graphical user interface.
- Enabled interactive selection and projection of reciprocal space regions using masks.
Main Results:
- HAT allows efficient extraction and processing of HESXRD data sets.
- The software facilitates the creation of reciprocal space maps.
- Facilitates the extraction of crystal truncation rods from complex data.
Conclusions:
- HAT offers a user-friendly solution for HESXRD data analysis.
- The toolkit democratizes access to advanced surface crystallography analysis.
- HAT is freely available for current and future use.
Related Concept Videos
01:10X-ray Diffraction of Biological Samples
3.9K
X-ray diffraction or XRD is an analytical tool that utilizes X-rays to study ordered structures such as crystalline organic and inorganic samples, polycrystalline materials, proteins, carbohydrates, and drugs.
According to Bragg's law, when X-rays strike the sample positioned on a stage, the rays are scattered by the electron clouds around the sample atoms. The X-ray diffraction or scattering is caused by constructive interference of the X-ray waves that reflect off the internal...
According to Bragg's law, when X-rays strike the sample positioned on a stage, the rays are scattered by the electron clouds around the sample atoms. The X-ray diffraction or scattering is caused by constructive interference of the X-ray waves that reflect off the internal...
3.9K
02:18X-ray Crystallography
24.0K
The size of the unit cell and the arrangement of atoms in a crystal may be determined from measurements of the diffraction of X-rays by the crystal, termed X-ray crystallography.
Diffraction
Diffraction is the change in the direction of travel experienced by an electromagnetic wave when it encounters a physical barrier whose dimensions are comparable to those of the wavelength of the light. X-rays are electromagnetic radiation with wavelengths about as long as the distance between neighboring...
Diffraction
Diffraction is the change in the direction of travel experienced by an electromagnetic wave when it encounters a physical barrier whose dimensions are comparable to those of the wavelength of the light. X-rays are electromagnetic radiation with wavelengths about as long as the distance between neighboring...
24.0K