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Title of the item:

Specifics of the data processing of precession electron diffraction tomography data and their implementation in the program PETS2.0.

Title :
Specifics of the data processing of precession electron diffraction tomography data and their implementation in the program PETS2.0.
Authors :
Palatinus L; Institute of Physics of the AS CR, v.v.i., Na Slovance 2, 182 21 Prague, Czech Republic.
Brázda P; Institute of Physics of the AS CR, v.v.i., Na Slovance 2, 182 21 Prague, Czech Republic.
Jelínek M; Institute of Physics of the AS CR, v.v.i., Na Slovance 2, 182 21 Prague, Czech Republic.
Hrdá J; Institute of Physics of the AS CR, v.v.i., Na Slovance 2, 182 21 Prague, Czech Republic.
Steciuk G; Institute of Physics of the AS CR, v.v.i., Na Slovance 2, 182 21 Prague, Czech Republic.
Klementová M; Institute of Physics of the AS CR, v.v.i., Na Slovance 2, 182 21 Prague, Czech Republic.
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Source :
Acta crystallographica Section B, Structural science, crystal engineering and materials [Acta Crystallogr B Struct Sci Cryst Eng Mater] 2019 Aug 01; Vol. 75 (Pt 4), pp. 512-522. Date of Electronic Publication: 2019 Aug 01.
Publication Type :
Journal Article
Language :
English
Imprint Name(s) :
Original Publication: Oxford : Wiley-Blackwell, 2013-
Grant Information :
16-10035S Grantová Agentura České Republiky; TG02010056 Technologická Agentura České Republiky; TG02010056 Czech Technological Agency; SOLID21 CZ.02.1.010.00.016_0190000760 European Structural and Investment Funds and the Czech Ministry of Education, Youth and Sports; CZ.2.163.1.0024510 Operation program Prague Competitiveness
Contributed Indexing :
Keywords: crystal orientation; electron diffraction tomography; precession electron diffraction; profile fitting; serial electron crystallography
Entry Date(s) :
Date Created: 20200825 Date Completed: 20200827 Latest Revision: 20200827
Update Code :
20211106
DOI :
10.1107/S2052520619007534
PMID :
32830709
Academic Journal
Electron diffraction tomography (EDT) data are in many ways similar to X-ray diffraction data. However, they also present certain specifics. One of the most noteworthy is the specific rocking curve observed for EDT data collected using the precession electron diffraction method. This double-peaked curve (dubbed `the camel') may be described with an approximation based on a circular integral of a pseudo-Voigt function and used for intensity extraction by profile fitting. Another specific aspect of electron diffraction data is the high likelihood of errors in the estimation of the crystal orientation, which may arise from the inaccuracies of the goniometer reading, crystal deformations or crystal movement during the data collection. A method for the refinement of crystal orientation for each frame individually is proposed based on the least-squares optimization of simulated diffraction patterns. This method provides typical angular accuracy of the frame orientations of less than 0.05°. These features were implemented in the computer program PETS 2.0. The implementation of the complete data processing workflow in the program PETS and the incorporation of the features specific for electron diffraction data is also described.
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