DiSCaMB : a software library for aspherical atom model X-ray scattering factor calculations with CPUs and GPUs
It has been recently established that the accuracy of structural parameters from X-ray refinement of crystal structures can be improved by using a bank of aspherical pseudoatoms instead of the classical spherical model of atomic form factors. This comes, however, at the cost of increased complexity...
Ausführliche Beschreibung
Bibliographische Detailangaben
| Veröffentlicht in: | Journal of applied crystallography. - 1998. - 51(2018), Pt 1 vom: 01. Feb., Seite 193-199
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| 1. Verfasser: |
Chodkiewicz, Michał L
(VerfasserIn) |
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| Weitere Verfasser: |
Migacz, Szymon,
Rudnicki, Witold,
Makal, Anna,
Kalinowski, Jarosław A,
Moriarty, Nigel W,
Grosse-Kunstleve, Ralf W,
Afonine, Pavel V,
Adams, Paul D,
Dominiak, Paulina Maria |
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| Format: | Online-Aufsatz
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| Sprache: | English |
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| Veröffentlicht: |
2018
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| Zugriff auf das übergeordnete Werk: | Journal of applied crystallography
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| Schlagworte: | Journal Article
GPU
multipole model
refinement
structure factors |
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