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2022 (English)In: Journal of applied crystallography, ISSN 0021-8898, E-ISSN 1600-5767, Vol. 55, no 3, p. 638-646Article in journal (Refereed) Published
Abstract [en]
Three-dimensional electron diffraction (3D ED)/microcrystal electron diffraction (MicroED) techniques are gaining in popularity. However, the data processing often does not fit existing graphical user interface software, instead requiring the use of the terminal or scripting. Scipion-ED, described in this article, provides a graphical user interface and extendable framework for processing of 3D ED/MicroED data. An illustrative project is described, in which multiple 3D ED/MicroED data sets collected on tetragonal lysozyme were processed with DIALS through the Scipion-ED interface. The ability to resolve unmodelled features in the electrostatic potential map was compared between three strategies for merging data sets.
Keywords
electron diffraction; 3D ED; MicroED; data processing; computer programs.
National Category
Inorganic Chemistry
Research subject
Inorganic Chemistry
Identifiers
urn:nbn:se:su:diva-204705 (URN)10.1107/s1600576722002758 (DOI)000810763300022 ()
Funder
Swedish Research Council, 2017-05333Swedish Research Council, 2019-00815Knut and Alice Wallenberg Foundation, 2018.0237Science for Life Laboratory, SciLifeLab, MicroED@SciLifeLab
2022-05-182022-05-182025-04-03Bibliographically approved