On the application of phase relationships to complex structures. XXIV. The Sayre tangent formula
On the application of phase relationships to complex structures. XXIV. The Sayre tangent formula
复制标题
关于相位关系在复杂结构中的应用。
DOI：
10.1107/s0108767385000617
复制
发表时间：
1985
期刊：
影响因子：
--
通讯作者：
M. Woolfson
中科院分区：
文献类型：
--
作者：
T. Debaerdemaeker;C. Tate;M. Woolfson
应用归一化结构因子的实质子集的真实相集应满足 Sayre 方程这一条件，得出称为 Sayre 正切公式的相细化方程。通过该公式精化的相位往往满足 Sayre 方程，其中 E 的子集包含一些大的幅度和一些小的（理想情况下为零）幅度。试验表明，纳入计算机程序 SAYTAN 的新公式比 MULTAN80 更有效，特别是对于同构结构。
The application of the condition that a true set of phases for a substantial subset of normalized structure factors should satisfy Sayre's equation leads to a phase-refining equation called the Sayre tangent formula. Phases refined by this formula tend to satisfy Sayre's equation for a subset of E's containing some of large magnitude and some of small (ideally zero) magnitude. Trials indicate that the new formula, incorporated into a computer program SAYTAN, is more effective than MULTAN80, especially for symmorphic structures.