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• W2092769931 abstract "A Monte Carlo procedure is described that generates random structure factors with simulated errors corresponding to an X-­ray data set of a protein of a specific size and given heavy-atom content. The simulated data set can be used to estimate Bijvoet ratios and figures of merit as obtained from SAD phasing routines and can be used to gauge the feasibility of solving a structure via the SAD method. In addition to being able to estimate results from phasing, the simulation allows the estimation of the correlation coefficient between |ΔF|, the absolute Bijvoet amplitude difference, and FA, the structure-factor amplitude of the heavy-atom model. As this quantity is used in various substructure-solution routines, the estimate provides a rough estimate of the ease of substructure solution. Furthermore, the Monte Carlo procedure provides an easy way of estimating the number of significant Bijvoet intensity differences, denoted as the measurability, and is proposed as an intuitive measure of the quality of anomalous data." @default.
• W2092769931 created "2016-06-24" @default.
• W2092769931 creator A5081770773 @default.
• W2092769931 date "2005-10-19" @default.
• W2092769931 modified "2023-09-23" @default.
• W2092769931 title "Anomalous signal indicators in protein crystallography" @default.
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• W2092769931 doi "https://doi.org/10.1107/s0907444905023589" @default.
• W2092769931 hasPubMedId "https://pubmed.ncbi.nlm.nih.gov/16239720" @default.
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