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czqgl(½ð±Ò+1): 2011-04-22 11:07:44
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Because there are no heavy atoms, it is better to merge Friedel pairs. The number of pairs merged should be stated in the refinement. ·Ö±ðÔÚ.insÖмÓmerg 2, merg 3, ÔÚcifÖв鿴¶ÀÁ¢µãÊýµÄ¶àÉÙ£¬ Ïà¼õ£¬ ËùµÃ¼´Friedel pairs È»ºó£¬ ÔÚ.insÖÐÒÔmerg 3ÐÞÕý£¬ ¼´°Ñfriedel pairs mergµô¡£ È»ºó£¬ ÔÚcifÖÐÌî¼Ó _chemical_absolute_configuration unk ²¢É¾³ýflack²ÎÊýÒ»ÐÐ The treatment of the amino H atoms should also be given. It is better to restrain them to a common value. amino ÉϵÄHҪô²»ÒªÐÞÕý£¬ °ÑHµÄ¼ü³¤¹Ì¶¨µ½ºÏÀíÖµ£¬ ҪôÓÃdfix dangµÈÀ´ÏÞÖÆÆä¼ü³¤¼ü½ÇÐÞÕý£¬ ¶ø²»ÊDz»¼ÓÏÞÖÆµØËæÒâÐÞÕý¡£ What motif the classical hydrogen bonds give should be stated in the abstract. ÐðÊöÇâ¼üÐγÉÁËÔõÑùµÄgraph set |

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