GARFIELD, a toolkit for interpreting ultrafast electron diffraction data of imperfect quasi-single crystals
The analysis of ultrafast electron diffraction (UED) data from low-symmetry single crystals of small molecules is often challenged by the difficulty of assigning unique Laue indices to the observed Bragg reflections. For a variety of techni...
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| Main Authors: | , |
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| Format: | Article |
| Language: | English |
| Published: |
AIP Publishing LLC and ACA
2025-03-01
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| Series: | Structural Dynamics |
| Online Access: | http://dx.doi.org/10.1063/4.0000286 |
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| Summary: | The analysis of ultrafast electron diffraction (UED) data from low-symmetry
single crystals of small molecules is often challenged by the difficulty of
assigning unique Laue indices to the observed Bragg reflections. For a variety
of technical and physical reasons, UED diffraction images are typically of lower
quality when viewed from the perspective of structure determination by
single-crystal x-ray or electron diffraction. Nevertheless, time series of UED
images can provide valuable insight into structural dynamics, providing that an
adequate interpretation of the diffraction patterns can be achieved.
Garfield is a collection of tools with a graphical user interface
designed to facilitate the interpretation of diffraction patterns and to index
Bragg reflections in challenging cases where other indexing tools are
ineffective. To this end, Garfield enables the user to interactively
create, explore, and optimize sets of parameters that define the diffraction
geometry and characteristic properties of the sample. |
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| ISSN: | 2329-7778 |