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cxsky315

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[×ÊÔ´] CIF´íÎóÌáʾµÄ·­ÒëÒÔ¼°¾À´í½ÓÁ¦

ΪÁË´Ù½ø¹ã´ó³æÓѵĽ»Á÷ѧϰ£¬±¾ÈËÏÈ×éÖ¯Ò»´Î¼¯ÌåÌÖÂÛѧϰ£¬ÎÒ°Écheck cifÖеÄÖ÷ÒªÎÊÌâ·ÖÅúÁгö£¬´ó¼ÒÒ»Æð·­Ò룬²¢ÓèÒÔÖ¸³ö¸Ä´í·½·¨¡£Å¼µÄÓ¢ÓïˮƽÓÐÏÞ£¬²»Í×Ö¸³öÍûÅ£È˼´Ê±Ö¸³ö£¬ÎÒ½«¼´Ê±¸üÕý¡£Ï£Íû´ó¼Ò»ý¼«²ÎÓ룬ÓÈÆäÊÇ´óÅ£ÃDz»ÒªÁßϧŶ
  Å¼ÏȰÑËùÓÐÄÚÈݵÄͨ¹ý¸½¼þ´«ÉÏ£¬ÖÁÓÚ·­Ò룬ÎÒÃDZ£Ö¤ÖÊÁ¿µÄǰÌáÏÂÌá¸ßËÙ¶È¡£Ã¿ÌìÖ»½Úѡһ¶ÎÁгö£¬¹©´ó¼ÒÌÖÂÛ£¬µ±Ç°²¿·Öͨ½âºóÔÙ·­ÒëÏÂÒ»½Ú¡£×îºóÎÒ½«Í³Ò»ÕûÀí²¢½«½á¹ûÉÏ´«¹©´ó¼Òѧϰ¡£

-------------------------------------------------------------------------------
_020 : Check on R(int)                     R(int)¼ì²é
-------------------------------------------------------------------------------

R(int) should be well below 10% and in the order of magnitude of the
reported R-values. R(int) may be relatively meaningless when based on a very
limited number of averaged data.
R(int)ÒÔ¼°Æä±¨µÀµÄRÖµµÄÊýÁ¿¼¶Ó¦¸ÃСÓÚ0.1¡£ »ùÓڷdz£ÓÐÏÞÊýÁ¿µÄƽ¾ùÊý¾ÝµÄR(int)ûÓÐʲôÒâÒå¡£

-------------------------------------------------------------------------------
_021 : Check ratio of observed/expected number of reflections
¼ì²é ¿É¹Û²âÑÜÉäµãÊýÄ¿/ÆÚÍûÑÜÉäµãÊýÄ¿µÄ±ÈÖµ
-------------------------------------------------------------------------------

The expected number of reflections corresponds to that in the
asymmmetric unit of the Laue group.
Expected ratio:  less-or-equal 1 for centro symmetric structures and
less than 2 for non-centrosymmetric structures.
ÆÚ´ýÊýÄ¿¶ÔÓ¦ÓÚÀͰ£ÈºµÄ²»¶Ô³Æµ¥ÔªÖеÄÊýÄ¿
¶ÔÓÚÖÐÐĶԳƵĽṹ£¬ÆÚÍûֵӦСÓÚµÈÓÚ1£¬¶ÔÓÚ·ÇÖÐÐĶԳƽṹӦСÓÚ2

Reasons to exceed those numbers can be:

1 - Systematic extinction not omitted from the observed data count
2 - Refinement with redundant (i.e. not averaged/unique) data set.
¿ÉÄܳ¬±êµÄÔ­Òò£º1£¬¶Ô³ÉÐÍÏû¹âûÓдӹ۲âÊý¾ÝÖÐÏû³ý¡£  2£¬²ÉÓÃÁ˹ý¶àµÄÊý¾Ý½øÐо«ÐÞ¡£
»Ø¸´´ËÂ¥
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xi2004

ÖÁ×ðľ³æ (Ö°Òµ×÷¼Ò)


ÎÒÖ÷ÕÅ»¹ÊÇ¿´¶®Ó¢ÎĵÄΪºÃ.
5Â¥2009-03-29 14:59:55
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²é¿´È«²¿ 9 ¸ö»Ø´ð
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2Â¥2009-03-28 17:52:15
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cxsky315

ÖÁ×ðľ³æ (ÖøÃûдÊÖ)


ÔõôûÓÐÈ˽Ӱ¡£¬¸ßÊÖ¶¶³öÀ´Ö¸µãÖ¸µãŶ¡£Ö¼ÔÚ½»Á÷ѧϰ°¡£¬´ó¼Ò»ý¼«µãŶ£¬°æÖ÷Äܲ»ÄÜÅäºÏÏ£¬¹ÄÀø´ó¼Ò¹²Í¬²ÎÓë°¡£¡£¡
4Â¥2009-03-29 11:47:42
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cxsky315

ÖÁ×ðľ³æ (ÖøÃûдÊÖ)


ÒýÓûØÌû:
Originally posted by xi2004 at 2009-3-29 14:59:
ÎÒÖ÷ÕÅ»¹ÊÇ¿´¶®Ó¢ÎĵÄΪºÃ.

¾ÍÊÇÒòΪӢÓï²»ºÃ°¡£¬¶øÇҺܶàÊÇÊõÓï°¡£¬²»ÏñÐǪ̈ÀíÂÛ֪ʶ·áºñ£¬ÓÖ¸»ÓÐʵ¼ù¾­Ñ飬ӢÓï»ù´¡ºÃ°¡£¬Ò»¿´¾ÍÃ÷°×°¡¡£¼ÈÈ»À´Á˺β»ÁôÏÂÖ¸µãÒ»¶þÄØ£¿£¿
6Â¥2009-03-29 15:40:21
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