Symmetry determination following structure solution inP1
Тип публикации: Journal Article
Дата публикации: 2008-10-11
scimago Q1
wos Q1
БС1
SJR: 1.183
CiteScore: 8.5
Impact factor: 2.8
ISSN: 00218898, 16005767
General Biochemistry, Genetics and Molecular Biology
Краткое описание
A new method for space-group determination is described. It is based on a symmetry analysis of the structure-factor phases resulting from a structure solution in space groupP1. The output of the symmetry analysis is a list of all symmetry operations compatible with the lattice. Each symmetry operation is assigned a symmetry agreement factor that is used to select the symmetry operations that are the elements of the space group of the structure. On the basis of the list of the selected operations the complete space group of the structure is constructed. The method is independent of the number of dimensions, and can also be used in solution of aperiodic structures. A number of cases are described where this method is particularly advantageous compared with the traditional symmetry analysis.
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Palatinus L., van der Lee A. Symmetry determination following structure solution inP1 // Journal of Applied Crystallography. 2008. Vol. 41. No. 6. pp. 975-984.
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Palatinus L., van der Lee A. Symmetry determination following structure solution inP1 // Journal of Applied Crystallography. 2008. Vol. 41. No. 6. pp. 975-984.
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TY - JOUR
DO - 10.1107/S0021889808028185
UR - https://doi.org/10.1107/S0021889808028185
TI - Symmetry determination following structure solution inP1
T2 - Journal of Applied Crystallography
AU - Palatinus, L.
AU - van der Lee, A.
PY - 2008
DA - 2008/10/11
PB - International Union of Crystallography (IUCr)
SP - 975-984
IS - 6
VL - 41
SN - 0021-8898
SN - 1600-5767
ER -
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@article{2008_Palatinus,
author = {L. Palatinus and A. van der Lee},
title = {Symmetry determination following structure solution inP1},
journal = {Journal of Applied Crystallography},
year = {2008},
volume = {41},
publisher = {International Union of Crystallography (IUCr)},
month = {oct},
url = {https://doi.org/10.1107/S0021889808028185},
number = {6},
pages = {975--984},
doi = {10.1107/S0021889808028185}
}
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MLA
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Palatinus, L., and A. van der Lee. “Symmetry determination following structure solution inP1.” Journal of Applied Crystallography, vol. 41, no. 6, Oct. 2008, pp. 975-984. https://doi.org/10.1107/S0021889808028185.