• Theoretical evaluation of the overall values of unnormalized discrepancy indices for truncated data in crystals obeying Wilson distributions

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    • Keywords


      Theoretical evaluation; unnormalized R-indices; truncated data

    • Abstract


      Theoretical expressions for the local values of six types of unnormalized R-indices are derived for an imperfectly related incomplete model of a crystal (centrosymmetric and non-centrosymmetric) with truncated data which is characterized by a truncation limit yt. These indices depend on the parameters σ1, D and yt. In the situations of practical interest (i.e., σ12>0·3 and yt<0·2) R-indices for the centro-symmetric case decrease as ytincreases while these for the non-centro-symmetric case remain more or less constant.

    • Author Affiliations


      D Velmurugan1 S Parthasarathy1

      1. Department of Crystallography and Biophysics, University of Madras, Guindy Campus, Madras - 600 025, India
    • Dates

  • Pramana – Journal of Physics | News

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