NEW DEVELOPMENTS IN DIRECT SHAPE DETERMINATION FROM SMALL-ANGLE SCATTERING .1. THEORY AND MODEL-CALCULATIONS
NEW DEVELOPMENTS IN DIRECT SHAPE DETERMINATION FROM SMALL-ANGLE SCATTERING .1. THEORY AND MODEL-CALCULATIONS
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DOI：
10.1107/s0108767391006414
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发表时间：
1991-11-01
期刊：
影响因子：
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通讯作者：
STUHRMANN, HB
中科院分区：
文献类型：
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作者：
SVERGUN, DI;STUHRMANN, HB
基于多极展开的形状确定方法的改进[Stuhrmann(1970)，Z.Phys.化学。(美因河畔法兰克福)，72,177-198]。提出了由多个系数计算形状散射度的快速算法。建立了实空间和倒易空间的分辨率之间的关系。通过模型计算对改进方法进行了验证。结果表明，低分辨率形状估计可以作为一种简单的方法进行。在较高分辨率下的形状细化是模糊的；可以生成各种形状，它们整齐地拟合给定的强度曲线。给出了在高分辨率研究中选择最合理解的标准。
Improvements in the shape determination method based on multipole expansion [Stuhrmann (1970), Z. Phys. Chem. (Frankfurt am Main), 72, 177-198] are described. Fast algorithms for evaluating shape scattering from the multiple coefficients are developed. The relationship between the resolution in real and reciprocal space is established. The improved technique is verified by means of model calculations. It is shown that the low-resolution shape estimation can be performed as a straightforward procedure. Shape refinement at higher resolution is ambiguous; a variety of shapes can be generated which fit the given intensity curve neatly. A criterion is given to select the most plausible solution in higher-resolution studies.