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摘要: 直接法用于求解晶体超结构,已证明是一种客观的、有效的方法.本文提出通过使各衍射组衍射数目相等或E值均衡指派,均可收到提高直接法解超结构能力的效果.有关算法已编入新版的SAPI程序
Abstract: Direct methods have been proved to be effective and objective for solving superstructures. Two algorithms have been proposed to further improve the efficiency. The first was the same number of E's in all reflection groups. The second was a set of artificial E's in phase derivation to eliminate the effect from abnormal distribution of E values. The new algorithms have been incorporated into new version of SAPI.