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Crystal Data and Structure Refinement Details for (-)-Pseudosemiglabrin.

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https://figshare.com/articles/dataset/_Crystal_Data_and_Structure_Refinement_Details_for_Pseudosemiglabrin_/955163
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S  =  Goodness of fit, in general value of S should be close to 1. wR2  =  Weighted Residual Factor is the most closely related to the refinement against squared structure factors. The weighting factor w is indivisually derived from the standard uncertanities of the measured reflections and expresses the confidence we have in every single reflection. This factor should be minimum during refinement R  =  Unweighted residual factor. This factor should also be minimum during refinement. Nref  =  Number of independent reflections Npar  =  the number of refined parameters Rint  =  The merging residual value, reflects the summations involve all the input reflections for which more than one symmetry equivalent are averaged.
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2014-03-07
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