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Figure 5
Comparison of bond restraints from selected dictionary generators. Bond-length restraints assigned by program A on the vertical axis are plotted in Å against those assigned by program B on the horizontal axis. Each matched pair is represented by a dot, where bonds between two C atoms are coloured black and those containing at least one N atom are blue, O atom red, S atom gold, P atom dark orange and halogen (Cl, Br, F or I atom) green. For a more complete description of the methodology underlying this figure, please see §S5 of the Supporting Information.

Journal logoSTRUCTURAL
ISSN: 2059-7983
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