Direct methods and isomorphous replacement. The triplet invariant estimate when heavy atoms are located

作者: Carmelo Giacovazzo , Dritan Siliqi , Liberato De Caro

DOI: 10.1107/S0108767302000624

关键词: Probability theoryJoint probability distributionProbabilistic logicStructured modelMathematicsInvariant (mathematics)Statistical physicsGeometryCrystal structureDirect methodDirect methods

摘要: The probabilistic theory of the three-phase structure invariants for isomorphous pairs has been generalized to case in which a heavy-atom model is available. rigorous method joint probability distributions applied: it able handle errors measurements and model, as well lack isomorphism. conclusive formulas have successfully applied experimental data.

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