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HAT : a high-energy surface X-ray diffraction analysis toolkit

Harlow, Gary S. LU ; Pfaff, Sebastian LU ; Abbondanza, Giuseppe LU ; Hegedüs, Zoltan ; Lienert, Ulrich ; Lundgren, Edvin LU and Brand, H. (2023) In Journal of Applied Crystallography 56. p.312-321
Abstract

This work introduces the high-energy surface X-ray diffraction analysis toolkit (HAT), an open-source cross-platform software package written in Python to allow the extraction and processing of high-energy surface X-ray diffraction (HESXRD) data sets. Thousands of large-area detector images are collected in a single HESXRD scan, corresponding to billions of pixels and hence reciprocal space positions. HAT is an optimized reciprocal space binner that implements a graphical user interface to allow the easy and interactive exploration of HESXRD data sets. Regions of reciprocal space can be selected with movable and resizable masks in multiple views and are projected onto different axes to allow the creation of reciprocal space maps and the... (More)

This work introduces the high-energy surface X-ray diffraction analysis toolkit (HAT), an open-source cross-platform software package written in Python to allow the extraction and processing of high-energy surface X-ray diffraction (HESXRD) data sets. Thousands of large-area detector images are collected in a single HESXRD scan, corresponding to billions of pixels and hence reciprocal space positions. HAT is an optimized reciprocal space binner that implements a graphical user interface to allow the easy and interactive exploration of HESXRD data sets. Regions of reciprocal space can be selected with movable and resizable masks in multiple views and are projected onto different axes to allow the creation of reciprocal space maps and the extraction of crystal truncation rods. Current and future versions of HAT can be downloaded and used free of charge.

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author
; ; ; ; ; and
organization
publishing date
type
Contribution to journal
publication status
published
subject
keywords
crystal truncation rods, data analysis, data reduction, high-energy surface X-ray diffraction, reciprocal space mapping
in
Journal of Applied Crystallography
volume
56
pages
10 pages
publisher
International Union of Crystallography
external identifiers
  • scopus:85149423858
  • pmid:36777142
ISSN
0021-8898
DOI
10.1107/S1600576723000092
language
English
LU publication?
yes
additional info
Publisher Copyright: © 2023 Gary Harlow et al.
id
8d301142-8814-44d2-87c0-307f4261f6b9
date added to LUP
2024-01-12 14:56:51
date last changed
2025-02-02 14:50:42
@article{8d301142-8814-44d2-87c0-307f4261f6b9,
  abstract     = {{<p>This work introduces the high-energy surface X-ray diffraction analysis toolkit (HAT), an open-source cross-platform software package written in Python to allow the extraction and processing of high-energy surface X-ray diffraction (HESXRD) data sets. Thousands of large-area detector images are collected in a single HESXRD scan, corresponding to billions of pixels and hence reciprocal space positions. HAT is an optimized reciprocal space binner that implements a graphical user interface to allow the easy and interactive exploration of HESXRD data sets. Regions of reciprocal space can be selected with movable and resizable masks in multiple views and are projected onto different axes to allow the creation of reciprocal space maps and the extraction of crystal truncation rods. Current and future versions of HAT can be downloaded and used free of charge.</p>}},
  author       = {{Harlow, Gary S. and Pfaff, Sebastian and Abbondanza, Giuseppe and Hegedüs, Zoltan and Lienert, Ulrich and Lundgren, Edvin and Brand, H.}},
  issn         = {{0021-8898}},
  keywords     = {{crystal truncation rods; data analysis; data reduction; high-energy surface X-ray diffraction; reciprocal space mapping}},
  language     = {{eng}},
  month        = {{02}},
  pages        = {{312--321}},
  publisher    = {{International Union of Crystallography}},
  series       = {{Journal of Applied Crystallography}},
  title        = {{HAT : a high-energy surface X-ray diffraction analysis toolkit}},
  url          = {{http://dx.doi.org/10.1107/S1600576723000092}},
  doi          = {{10.1107/S1600576723000092}},
  volume       = {{56}},
  year         = {{2023}},
}