Removing multiple outliers and single-crystal artefacts from X-ray diffraction computed tomography data

被引:39
|
作者
Vamvakeros, Antonios [1 ,2 ]
Jacques, Simon D. M. [1 ,2 ,3 ]
Di Michiel, Marco [4 ]
Middelkoop, Vesna [5 ]
Egan, Christopher K. [3 ]
Cernik, Robert J. [3 ]
Beale, Andrew M. [1 ,2 ]
机构
[1] UCL, Dept Chem, London WC1H 0AJ, England
[2] UK Catalysis Hub, Didcot, Oxon, England
[3] Univ Manchester, Sch Mat, Manchester M13 9PL, England
[4] European Synchrotron, ESRF, F-38000 Grenoble, France
[5] VITO NV, Flemish Inst Technol Res, Mol, Belgium
来源
基金
英国工程与自然科学研究理事会;
关键词
XRD-CT; diffraction tomography; powder X-ray diffraction; diffraction images; ACTIVE PHASE EVOLUTION; TRIMMED MEAN FILTER; MEDIAN FILTERS; SCANNING TOMOGRAPHY; POWDER DIFFRACTION; CATALYST BODIES; MICROTOMOGRAPHY; BONE;
D O I
10.1107/S1600576715020701
中图分类号
O6 [化学];
学科分类号
0703 ;
摘要
This paper reports a simple but effective filtering approach to deal with single-crystal artefacts in X-ray diffraction computed tomography (XRD-CT). In XRD-CT, large crystallites can produce spots on top of the powder diffraction rings, which, after azimuthal integration and tomographic reconstruction, lead to line/streak artefacts in the tomograms. In the simple approach presented here, the polar transform is taken of collected two-dimensional diffraction patterns followed by directional median/mean filtering prior to integration. Reconstruction of one-dimensional diffraction projection data sets treated in such a way leads to a very significant improvement in reconstructed image quality for systems that exhibit powder spottiness arising from large crystallites. This approach is not computationally heavy which is an important consideration with big data sets such as is the case with XRD-CT. The method should have application to two-dimensional X-ray diffraction data in general where such spottiness arises.
引用
收藏
页码:1943 / 1955
页数:13
相关论文
共 50 条
  • [41] LIQUID-NITROGEN CRYOSTAT FOR SINGLE-CRYSTAL X-RAY DIFFRACTION
    ATTARD, AE
    AZAROFF, LV
    JOURNAL OF SCIENTIFIC INSTRUMENTS, 1960, 37 (07): : 238 - 239
  • [42] SINGLE-CRYSTAL X-RAY DIFFRACTION STUDY OF BETA-DIBORANE
    SMITH, HW
    LIPSCOMB, WN
    JOURNAL OF CHEMICAL PHYSICS, 1965, 43 (03): : 1060 - &
  • [43] Single-crystal x-ray diffraction structures of covalent organic frameworks
    Ma, Tianqiong
    Kapustin, Eugene A.
    Yin, Shawn X.
    Liang, Lin
    Zhou, Zhengyang
    Niu, Jing
    Li, Li-Hua
    Wang, Yingying
    Su, Jie
    Li, Jian
    Wang, Xiaoge
    Wang, Wei David
    Wang, Wei
    Sun, Junliang
    Yaghi, Omar M.
    SCIENCE, 2018, 361 (6397) : 48 - 52
  • [44] Natural wulfenite: structural refinement by single-crystal X-ray diffraction
    Lugli, C
    Medici, L
    Saccardo, D
    NEUES JAHRBUCH FUR MINERALOGIE-MONATSHEFTE, 1999, (06): : 281 - 288
  • [45] Dehydration mechanism in brewsterite: single-crystal X-ray diffraction study
    Sacerdoti, M
    Vezzalini, G
    Quartieri, S
    MICROPOROUS AND MESOPOROUS MATERIALS, 2000, 41 (1-3) : 107 - 118
  • [46] Single-crystal X-ray diffraction study of chabazite at 123 K
    Uyama, Ken
    Nakatsuka, Akihiko
    Fujiwara, Keiko
    Nakayama, Noriaki
    Mizota, Tadato
    ACTA CRYSTALLOGRAPHICA A-FOUNDATION AND ADVANCES, 2008, 64 : C503 - C504
  • [47] Single-crystal X-ray diffraction study of CaIrO3
    Sugahara, Masahiko
    Yoshiasa, Akira
    Yoneda, Akira
    Hashimoto, Takafumi
    Sakai, Syunsuke
    Okube, Maki
    Nakatsuka, Akihiko
    Ohtaka, Osamu
    AMERICAN MINERALOGIST, 2008, 93 (07) : 1148 - 1152
  • [48] The choice of options of the data processing of the X-ray single-crystal data
    Galdecka, E
    APPLIED CRYSTALLOGRAPHY, 2001, : 101 - 103
  • [49] Redetermination of the crystal structure of RhPb2 from single-crystal X-ray diffraction data, revealing a rhodium deficiency
    Mochiku, Takashi
    Matsushita, Yoshitaka
    Suboti, Nikola
    Kashiwagi, Takanari
    Kadowaki, Kazuo
    ACTA CRYSTALLOGRAPHICA SECTION E-CRYSTALLOGRAPHIC COMMUNICATIONS, 2021, 77 : 1327 - +
  • [50] Redetermination of the crystal structure of yttrium chromium tetraboride, YCrB4, from single-crystal X-ray diffraction data
    Tokuda, Makoto
    Yubuta, Kunio
    Shishido, Toetsu
    Sugiyama, Kazumasa
    ACTA CRYSTALLOGRAPHICA SECTION E-CRYSTALLOGRAPHIC COMMUNICATIONS, 2023, 79 : 1072 - +