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- W2495440029 abstract "This chapter discusses the three final stages of structure determination: obtaining and improving the electron-density map that is based on the first phase estimates; interpreting the map to produce an atomic model of the unit–cell contents; and refining the model to optimize its agreement with the original reflection intensities. The criteria by which the crystallographer judges the progress of the work overlap with criteria for assessing the quality of the final model. The chapter also reviews many of the concepts by guiding the reader through the experimental descriptions from the description of a structure determination as published in a scientific journal. It also mentions the decisions inherent in structure refinement. The chapter outlines an overview of iterative improvement of maps and models: the first maps—resources, display, examination, and improvement; how the model becomes molecular; structural refinement; convergence to a final model; sharing the model." @default.
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- W2495440029 date "2006-01-01" @default.
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- W2495440029 title "Obtaining and Judging the Molecular Model" @default.
- W2495440029 doi "https://doi.org/10.1016/b978-012587073-3/50009-x" @default.
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