Overall values of conventional discrepancy indices for related and unrelated models of a non-centrosymmetric crystal with a centrosymmetric group

Theoretical expressions for the overall values of the conventional discrepancy indicesR(F) andR(I) are derived for a non-centrosymmetric crystal with a centrosymmetric group by taking the centrosymmetric group and a part of the other atoms in the unit cell as the trial structure. These results are used to obtain tables of values of these indices in terms of the parameter σ _1c ² and σ ₁ ² which define the fractional contribution to the local mean intensity from the centrosymmetric group and all the known atoms respectively. Contribution No. 561