Theoretical evaluation of the overall values of unnormalized discrepancy indices for truncated data in crystals obeying Wilson distributions |
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| Authors: | D Velmurugan S Parthasarathy |
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| Institution: | (1) Department of Crystallography and Biophysics, University of Madras, Guindy Campus, 600 025 Madras, India |
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| 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 y
t. These indices depend on the parameters σ
1, D and y
t. In the situations of practical interest (i.e., σ
1
2
>0·3 and y
t<0·2) R-indices for the centro-symmetric case decrease as y
tincreases while these for the non-centro-symmetric case remain more or less constant.
Contribution No. 569 |
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| Keywords: | Theoretical evaluation unnormalized R-indices truncated data |
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