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Figure 3
Average (a) R1 and (c) wR2 values colour coded by element. (b) Average R1 and wR2 and (d) |min| and max residual electron densities as a function of atomic number Z. Averages are calculated on an occurrence basis, rather than weighted by their stoichiometric coefficient in a given sum formula. Neon (Z = 10) deviates from the general trend because it has only two usable entries in the CSD.

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ISSN: 2053-2296