Acta Crystallographica · 1963 · 232 citations · 1 references
ComputingComputational EngineeringMethod ValidationOptimizationStatistical ModelingError EstimationRegressionLeast Squares ApproximationLeast Squares EstimationLeast Squares ProblemsRefinement
A method of least-squares refinement is described in which the subsidiary conditions are treated like observational equations. The advantages of the method are its generality, its adaptability to machine computing, and the possibility of relaxing the subsidiary conditions to any desired degree by appropriate changes in the weighting. In suitable cases the method extends the range for which least-squares refinements converge to the correct solution.
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Determination of Crystal Structures
Donald B. Rogers · Nature · 1954 · 75 citations · Full text