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A simple test based on Bayesian statistics for the presence of minority populations in single-crystal structure refinement is presented. The test is illustrated by analysis of photocrystallographic experiments on single crystals of ruthenium-sulfur-dioxide-based complexes. In data sets collected after irradiation with light, conventional refinements of the populations of different metastable states to values below 4% are shown to be statistically significant. The results also confirm that the photo-induced states are absent from data collected in the dark.

Supporting information

xls

Microsoft Excel (XLS) file https://doi.org/10.1107/S0108767312010094/sc5046sup1.xls
Spreadsheet template for the Bayesian calculation

ods

Open Spreadsheet Text (ODS) file https://doi.org/10.1107/S0108767312010094/sc5046sup2.ods
Open Office spreadsheet template for the Bayesian calculation


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