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Figure 4
Difference between SC and CR data banks in terms of R factors of MMs refined against the structure factors based on wavefunctions in different basis sets (molecules containing iodine are excluded due to limitations of the 6-31G** basis set, see Table 1).

Journal logoJOURNAL OF
APPLIED
CRYSTALLOGRAPHY
ISSN: 1600-5767
Volume 57| Part 6| December 2024| Pages 1884-1895
https://doi.org/10.1107/S1600576724009841
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