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应用直接法测定晶体结构,通常多半采用记号附加法与多解记号附加法进行。在相角测定中,起始套反射的确定成为测定结构成功与否的关键。目前多半采用收敛图方法确定起始套反射。本文则利用衍射指标的相关关系,提出确定起始套反射的优化选择方法,并用一个已知结构例进行了验证。
The application of direct method to determine the crystal structure, usually by mark addition method and multiple solution mark addition method. In the phase angle measurement, the determination of the initial sleeve reflection becomes the key to the success of the structure measurement. At present, the initial set of reflections is mostly determined by the method of convergence graph. In this paper, we use the correlativity of the diffraction index to propose an optimal selection method for determining the initial reflection, and verify it with a known structural example.