2018
DOI: 10.1107/s1600576717016600
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CAPOW: a standalone program for the calculation of optimal weighting parameters for least-squares crystallographic refinements

Abstract: The rigorous analysis of crystallographic models, refined through the use of least-squares minimization, is founded on the expectation that the data provided have a normal distribution of residuals. Processed single-crystal diffraction data rarely exhibit this feature without a weighting scheme being applied. These schemes are designed to reflect the precision and accuracy of the measurement of observed reflection intensities. While many programs have the ability to calculate optimal parameters for applied wei… Show more

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