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Figure 2
The free R factors (a), (c), (e) and the ratios Rfree/Rwork (b), (d), (f) for data truncated to 1.4 Å (a), (b), 1.7 Å (c), (d) and 2.0 Å (e), (f) for the new (RIGU) restraints compared to the standard SHELXL DELU and SIMU restraints with their default settings. |