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International
Tables for Crystallography Volume B Reciprocal space Edited by G. Chapuis © International Union of Crystallography 2023 |
International Tables for Crystallography (2023). Vol. B. ch. 1.1,
https://doi.org/10.1107/S1574870723000083 Chapter 1.1. Crystal structure determination by dual-space iterative algorithmsaInstitute of Physics of the CAS, v.v.i., Na Slovance 2, 182 21 Prague, Czechia |
Footnotes
1
The expression is, strictly speaking, undefined for 
. In such a case the phase of 
is undefined and it must be selected, e.g. set to zero. For simplicity, we do not treat this case explicitly in equation (2)
and the following. In practice, 
is essentially never exactly zero.
2 In the original publication (Wu et al., 2006), the factor in the second of the three options in equation (31) is incorrectly defined as 
. This is a typographical error in the publication, and the form presented here in equation (31) is the correct form used in the algorithm (Wu, 2012, personal communication).
. In such a case the phase of is undefined and it must be selected, e.g. set to zero. For simplicity, we do not treat this case explicitly in equation (2) and the following. In practice, is essentially never exactly zero.2 In the original publication (Wu et al., 2006
), the factor in the second of the three options in equation (31) is incorrectly defined as . This is a typographical error in the publication, and the form presented here in equation (31) is the correct form used in the algorithm (Wu, 2012, personal communication).