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yanhualover:лл½»Á÷ 2010-07-24 07:55:00
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2Â¥2010-07-24 06:24:42
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Originally posted by crystalart at 2010-07-24 15:33:10:
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The formation of *.CIF file after refinement impossble, because Your INS-file contains 'OMIT' instruction!!!
Please omit this instruction from INS-file, delete this reflection from HKL-file and make some cycles of refinement.

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4Â¥2010-07-28 15:03:27
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crystalart

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yanhualover(½ð±Ò+1):лл½»Á÷ 2010-07-31 23:02:58
The reflection h k l is flagged as 'unobserved' in the list of merged
reflections after data reduction.  It will not be used directly in phase
refinement or Fourier calculations, but is retained for statistical purposes
and as a possible cross-term in a negative quartet.  Thus if it is known that
a strong reflection has been included accidentally in the .hkl file with a
very small intensity (e.g. because it was cut off by the beam stop), it is
advisable to delete it from the .hkl file rather than using OMIT (which is
intended for imprecisely measured data rather than blunders).
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5Â¥2010-07-28 16:27:00
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