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1. Alert C: centre of gravity is not within unit cell: you have to shift all coordinates accordingly and re-refine the structure, then upload the new cif.
2 Please check the su's of the cell parameters. Looks as if the values given are not correct.  
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lil33931687

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Originally posted by wudh at 2010-08-26 15:11:42:
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Originally posted by sunjing120 at 2010-08-30 14:14:42:
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