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zixy

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Alert level B
PLAT919_ALERT_3_B Reflection # Likely Affected by the Beamstop ...          1 Check
#===============================================================================
Alert level C
PLAT913_ALERT_3_C Missing # of Very Strong Reflections in FCF ....          1 Note
PLAT934_ALERT_3_C Number of (Iobs-Icalc)/SigmaW > 10 Outliers ....          1 Check

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zixy

ר¼Ò¹ËÎÊ (ÖøÃûдÊÖ)

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3Â¥: Originally posted by tzeshyang at 2014-05-05 16:35:16
È¥LSTÎļþÀ

Most Disagreeable Reflections (* if suppressed or used for Rfree)

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OMIT H K L

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OMIT 1 2 3

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ллÄãµÄÈÈÐIJÎÓ룡
4Â¥2014-05-05 20:54:44
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tzeshyang

Ìú¸Ëľ³æ (СÓÐÃûÆø)

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zixy: ½ð±Ò+5, ¡ïÓаïÖú, ллÄãµÄÈÈÐIJÎÓ룡 2014-05-05 20:54:46
È¥LSTÎļþÀ

Most Disagreeable Reflections (* if suppressed or used for Rfree)

ÏÂÃæÕÒµ½µÚÒ»×éµÄHKL£¨ÀýÈç 1 2 3£©

È¥RESÎļþÀïÌî

OMIT H K L

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OMIT 1 2 3

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3Â¥2014-05-05 16:35:16
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zixy

ר¼Ò¹ËÎÊ (ÖøÃûдÊÖ)

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.

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