Putting MicroED to the Test: An Account of the Evaluation of 30 Diverse Pharmaceutical Compounds

15 October 2021, Version 1
This content is a preprint and has not undergone peer review at the time of posting.


The application of microcrystal electron diffraction (microED) to a variety of pharmaceutical compounds is reported. The examples and work detailed showcase the utility of microED as a routine technique for the rapid collection, analysis, and generation of structural data on a number of pharmaceutically relevant compounds, requiring minimal sample preparation and often without the need for time-consuming vitrification and cryo transfer processes. The development of a scripted data processing workflow allowed for simultaneous collection and processing of electron diffraction data, further expediting structural analysis of fifteen compounds.


small molecules
structure determination
process chemistry
medicinal chemistry

Supplementary materials

Supporting Information
Materials and methods, crystal structure data, Python code


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