Scipion-ED: a graphical user interface for batch processing and analysis of 3D ED/MicroED data.
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Bengtsson VEG, Pacoste L, de la Rosa-Trevin JM, Hofer G, Zou X, Xu H
J Appl Crystallogr 55 (Pt 3) 638-646 [2022-06-01; online 2022-04-22]
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.
PubMed 35719296
DOI 10.1107/S1600576722002758
Crossref 10.1107/S1600576722002758
pmc: PMC9172039
pii: S1600576722002758