The use of the non-negativity criterion and histogram matching as figures of merit in direct methods of phase determination
Acta Crystallographica Section A(1995)
摘要
Two figures of merit for the selection of correct phase sets from a number of possible or trial phase sets are defined: (1) based on the criterion that significantly negative points should be sparse in electron-density maps; and (2) based on comparison of electron-density histograms with the theoretically expected histogram [Lunin (1993). Acta Cryst. D49, 90-99]. It is shown that both figures of merit are useful for judging random phase sets and useless for phase sets that originate from direct-methods procedures such as symbolic addition or tangent refinement.
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关键词
figure of merit,direct method
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