Acta Chimica Sinica ›› 1991, Vol. 49 ›› Issue (5): 417-423.     Next Articles

Original Articles

应用双相角结构不变量概率值分辨相角双银问题

郭东耀;张钢;刘惠珍   

  1. 吉林大学理论化学研究所;北京工业大学计算机系
  • 发布日期:1991-05-15

Application of the probabilistic estimates of two-phase structure invariants to the solution of phase ambiguity

GUO DONGYAO;ZHANG GANG;LIU HUIZHEN   

  • Published:1991-05-15

The geometric symmetry of the unsolvable ambiguity in Harker construction was analyzed. The sym. 2 solns. may possess solvable property as colored symmetry if the diffractional phys. factors are attached to them. Combining the probability formula obtained by Hauptman in 1982 with Harker construction, the ests. of about 1000 phases for the Pt derivative of cytochrome C550 were obtained, and the source of errors was investigated by a series of computions.

Key words: CRYSTAL STRUCTURE, GEOMETRY, PROBABILITY, PLOTTING METHOD, DISCRIMINATION, PHASE DETERMINATION TECHNIQUES, VARIABLE

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