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应用直接法测定晶体结构,在归一化结构因子的计算,结构因子相位测定与分子模型建立中均需使用尝试法。本文就后两个问题提出了|E|值选取、起始套选择、原子种类判别、原子占有率确定等尝试法则,并用于测定未知晶体结构多例,获得了成功。Some trial and error procedures are often used in the proceeds of structure determination. The present paper provides some procedures to determine phase of structure factor and to build molecular model (selecting E value and starting set, determining atomic kind and occupancy). Many unknown structures have been solved succes-fully by means of these procedures.
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