A simple correction for the parallax effect in X-ray pair distribution function measurements
Marlton, Frederick ; Ivashko, Oleh ; Zimmerman, Martin V. ; Gutowski, Olof ; Dippel, Ann Christin and Jørgensen, Mads Ry Vogel LU
(2019)
In Journal of Applied Crystallography
52.
p.1072-1076
- Abstract
Total scattering and pair distribution function (PDF) analysis has created new insights that traditional powder diffraction methods have been unable to achieve in understanding the local structures of materials exhibiting disorder or complex nanostructures. Care must be taken in such analyses as subtle and discrete features in the PDF can easily be artefacts generated in the measurement process, which can result in unphysical models and interpretation. The focus of this study is an artefact called the parallax effect, which can occur in area detectors with thick detection layers during the collection of X-ray PDF data. This effect results in high-Q peak offsets, which subsequently cause an r-dependent shift in the PDF peak positions in... (More)
Total scattering and pair distribution function (PDF) analysis has created new insights that traditional powder diffraction methods have been unable to achieve in understanding the local structures of materials exhibiting disorder or complex nanostructures. Care must be taken in such analyses as subtle and discrete features in the PDF can easily be artefacts generated in the measurement process, which can result in unphysical models and interpretation. The focus of this study is an artefact called the parallax effect, which can occur in area detectors with thick detection layers during the collection of X-ray PDF data. This effect results in high-Q peak offsets, which subsequently cause an r-dependent shift in the PDF peak positions in real space. Such effects should be accounted for if a truly accurate model is to be achieved, and a simple correction that can be conducted via a Rietveld refinement against the reference data is proposed.
(Less)
- author
- Marlton, Frederick
; Ivashko, Oleh
; Zimmerman, Martin V.
; Gutowski, Olof
; Dippel, Ann Christin
and Jørgensen, Mads Ry Vogel
LU
- organization
- publishing date
- 2019
- type
- Contribution to journal
- publication status
- published
- subject
- keywords
- Pair distribution function, Parallax effect, Total scattering, X-rays
- in
- Journal of Applied Crystallography
- volume
- 52
- pages
- 5 pages
- publisher
- International Union of Crystallography
- external identifiers
-
- scopus:85073238532
- ISSN
- 0021-8898
- DOI
- 10.1107/S1600576719011580
- language
- English
- LU publication?
- yes
- id
- 0eb39f31-6b4e-4181-ab11-dfef9c63aadd
- date added to LUP
- 2019-10-25 12:53:53
- date last changed
- 2023-10-21 22:20:41
@article{0eb39f31-6b4e-4181-ab11-dfef9c63aadd,
abstract = {{<p>Total scattering and pair distribution function (PDF) analysis has created new insights that traditional powder diffraction methods have been unable to achieve in understanding the local structures of materials exhibiting disorder or complex nanostructures. Care must be taken in such analyses as subtle and discrete features in the PDF can easily be artefacts generated in the measurement process, which can result in unphysical models and interpretation. The focus of this study is an artefact called the parallax effect, which can occur in area detectors with thick detection layers during the collection of X-ray PDF data. This effect results in high-Q peak offsets, which subsequently cause an r-dependent shift in the PDF peak positions in real space. Such effects should be accounted for if a truly accurate model is to be achieved, and a simple correction that can be conducted via a Rietveld refinement against the reference data is proposed.</p>}},
author = {{Marlton, Frederick and Ivashko, Oleh and Zimmerman, Martin V. and Gutowski, Olof and Dippel, Ann Christin and Jørgensen, Mads Ry Vogel}},
issn = {{0021-8898}},
keywords = {{Pair distribution function; Parallax effect; Total scattering; X-rays}},
language = {{eng}},
pages = {{1072--1076}},
publisher = {{International Union of Crystallography}},
series = {{Journal of Applied Crystallography}},
title = {{A simple correction for the parallax effect in X-ray pair distribution function measurements}},
url = {{http://dx.doi.org/10.1107/S1600576719011580}},
doi = {{10.1107/S1600576719011580}},
volume = {{52}},
year = {{2019}},
}