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zixy
ר¼Ò¹ËÎÊ (ÖøÃûдÊÖ)
- Ó¦Öú: 1 (Ó×¶ùÔ°)
- ¹ó±ö: 7.65
- ½ð±Ò: 757.2
- É¢½ð: 91
- ºì»¨: 2
- Ìû×Ó: 1418
- ÔÚÏß: 87Сʱ
- ³æºÅ: 45331
- ×¢²á: 2004-05-08
- ÐÔ±ð: GG
- רҵ: Åäλ»¯Ñ§
2Â¥2014-05-05 15:15:06
tzeshyang
Ìú¸Ëľ³æ (СÓÐÃûÆø)
- Ó¦Öú: 98 (³õÖÐÉú)
- ½ð±Ò: 7135
- ºì»¨: 11
- Ìû×Ó: 230
- ÔÚÏß: 302.2Сʱ
- ³æºÅ: 1623362
- ×¢²á: 2012-02-17
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zixy: ½ð±Ò+5, ¡ïÓаïÖú, ллÄãµÄÈÈÐIJÎÓ룡 2014-05-05 20:54:46
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zixy: ½ð±Ò+5, ¡ïÓаïÖú, ллÄãµÄÈÈÐIJÎÓ룡 2014-05-05 20:54:46
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È¥LSTÎļþÀ Most Disagreeable Reflections (* if suppressed or used for Rfree) ÏÂÃæÕÒµ½µÚÒ»×éµÄHKL£¨ÀýÈç 1 2 3£© È¥RESÎļþÀïÌî OMIT H K L ÀýÈç OMIT 1 2 3 ¾«ÐÞ¼´¿É¡£¡£¡£ |
3Â¥2014-05-05 16:35:16
zixy
ר¼Ò¹ËÎÊ (ÖøÃûдÊÖ)
- Ó¦Öú: 1 (Ó×¶ùÔ°)
- ¹ó±ö: 7.65
- ½ð±Ò: 757.2
- É¢½ð: 91
- ºì»¨: 2
- Ìû×Ó: 1418
- ÔÚÏß: 87Сʱ
- ³æºÅ: 45331
- ×¢²á: 2004-05-08
- ÐÔ±ð: GG
- רҵ: Åäλ»¯Ñ§
4Â¥2014-05-05 20:54:44
zixy
ר¼Ò¹ËÎÊ (ÖøÃûдÊÖ)
- Ó¦Öú: 1 (Ó×¶ùÔ°)
- ¹ó±ö: 7.65
- ½ð±Ò: 757.2
- É¢½ð: 91
- ºì»¨: 2
- Ìû×Ó: 1418
- ÔÚÏß: 87Сʱ
- ³æºÅ: 45331
- ×¢²á: 2004-05-08
- ÐÔ±ð: GG
- רҵ: Åäλ»¯Ñ§
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The data set should be modified. There is one reflection that seems to be affected by the beamstop and 1 reflection shows a (Iobs-Icalc)/sigma w > 10. Both reflections should be identified and deleted using the OMIT instruction. In addition, the data set seems to have been merged because there are no negative intensities. The final refinement should be re-performed without the two reflections mentioned above and without merging the data. Éó¸åÈËÌáµÄÕâ¸öÎÊÌ⣬ֻҪomit¾Í¿ÉÒÔÁËÂ𣬠Çë´ó¼ÒÖ¸µãѽ |
5Â¥2014-05-05 20:55:47














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