Scipion-ED: a graphical user interface for batch processing and analysis of 3D ED/MicroED data

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 i...

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Detalles Bibliográficos
Autores principales: Bengtsson, Viktor E. G., Pacoste, Laura, de la Rosa-Trevin, José Miguel, Hofer, Gerhard, Zou, Xiaodong, Xu, Hongyi
Formato: Online Artículo Texto
Lenguaje:English
Publicado: International Union of Crystallography 2022
Materias:
Computer Programs
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9172039/
https://www.ncbi.nlm.nih.gov/pubmed/35719296
http://dx.doi.org/10.1107/S1600576722002758
Descripción
Sumario: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.

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