Shmueli U, Weiss G H
Physical Sciences Laboratory, Division of Computer Research and Technology, National Institutes of Heath, Bethesda, Maryland 20892.
Acta Crystallogr A. 1994 Sep 1;50 ( Pt 5):605-8. doi: 10.1107/s0108767394002400.
An exact Fourier representation of the probability for the epsilon 1 relationship is derived, which takes into account the presence of noncrystallographic centrosymmetry in the asymmetic unit of the space group P1. Illustrative examples show that the main effect of noncrystallographic symmetry is to decrease the probability that E2h is positive, as compared to the corresponding probability in the absence of such symmetry. The effect appears to be more pronounced in the equal-atom case than it is for a structure having a heterogeneous atomic composition.
推导出了ε1关系概率的精确傅里叶表示，该表示考虑了空间群P1不对称单元中非晶体学中心对称的存在。示例表明，与不存在这种对称时的相应概率相比，非晶体学对称的主要影响是降低E2h为正的概率。在等原子情况下，这种影响似乎比在具有不均匀原子组成的结构中更为明显。
