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Merging data in SHELXL

In this equation both summations involve all input reflections for which more than one symmetry equivalent are averaged. (F ) is the mean value of all measured equivalents. [Pg.5]

In this equation, the summation occurs over all reflections in the merged list, and CT (Fq ) is the estimated standard uncertainty of the merged reflection. In estimating the CT-value for a merged reflection, SHELXL uses the value obtained by combining [Pg.5]


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Merging

SHELXL

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