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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| Format: | Article |
| Language: | English |
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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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| author | Alexander Marx Sascha W. Epp |
| author_facet | Alexander Marx Sascha W. Epp |
| author_sort | Alexander Marx |
| collection | DOAJ |
| description | 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. |
| format | Article |
| id | doaj-art-1e10780b34564bf1b41f392e2c8e36a3 |
| institution | DOAJ |
| issn | 2329-7778 |
| language | English |
| publishDate | 2025-03-01 |
| publisher | AIP Publishing LLC and ACA |
| record_format | Article |
| series | Structural Dynamics |
| spelling | doaj-art-1e10780b34564bf1b41f392e2c8e36a32025-08-20T03:10:57ZengAIP Publishing LLC and ACAStructural Dynamics2329-77782025-03-01122024103024103-1710.1063/4.0000286GARFIELD, a toolkit for interpreting ultrafast electron diffraction data of imperfect quasi-single crystalsAlexander Marx0Sascha W. Epp1Max Planck Institute for the Structure and Dynamics of Matter, CFEL, Luruper Chaussee 149, 22761 Hamburg, GermanyMax Planck Institute for the Structure and Dynamics of Matter, CFEL, Luruper Chaussee 149, 22761 Hamburg, GermanyThe 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.http://dx.doi.org/10.1063/4.0000286 |
| spellingShingle | Alexander Marx Sascha W. Epp GARFIELD, a toolkit for interpreting ultrafast electron diffraction data of imperfect quasi-single crystals Structural Dynamics |
| title | GARFIELD, a toolkit for interpreting ultrafast electron diffraction
data of imperfect quasi-single crystals |
| title_full | GARFIELD, a toolkit for interpreting ultrafast electron diffraction
data of imperfect quasi-single crystals |
| title_fullStr | GARFIELD, a toolkit for interpreting ultrafast electron diffraction
data of imperfect quasi-single crystals |
| title_full_unstemmed | GARFIELD, a toolkit for interpreting ultrafast electron diffraction
data of imperfect quasi-single crystals |
| title_short | GARFIELD, a toolkit for interpreting ultrafast electron diffraction
data of imperfect quasi-single crystals |
| title_sort | garfield a toolkit for interpreting ultrafast electron diffraction data of imperfect quasi single crystals |
| url | http://dx.doi.org/10.1063/4.0000286 |
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