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. 2015 Mar 31;71(Pt 2):228–234. doi: 10.1107/S2052520615004084

Table 2. R values for the different structure models.

Included are R values for observed (obs; defined by I > 3) and all (all) reflections. Partial R values are given for the group of main and satellite (sat) reflections. Structure model A is based on the low-temperature commensurate structure; model B has been obtained by refinement with arbitrary but small initial values for the modulation amplitudes; and model C is obtained after refinement of the superflip solution.

Model A B C
GOFobs 2.78 2.78 2.79
Inline graphic (all) 0.0449 0.0449 0.0451
Inline graphic (main) 0.0411 0.0412 0.0411
Inline graphic (sat) 0.1268 0.1266 0.1301
GOFall 2.08 2.08 2.08
Inline graphic (all) 0.0720 0.0718 0.0720
Inline graphic (main) 0.0425 0.0425 0.0425
Inline graphic (sat) 0.3661 0.3634 0.3663
No. of parameters 719 719 719