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 |
(all) |
0.0449 | 0.0449 | 0.0451 |
(main) |
0.0411 | 0.0412 | 0.0411 |
(sat) |
0.1268 | 0.1266 | 0.1301 |
| GOFall | 2.08 | 2.08 | 2.08 |
(all) |
0.0720 | 0.0718 | 0.0720 |
(main) |
0.0425 | 0.0425 | 0.0425 |
(sat) |
0.3661 | 0.3634 | 0.3663 |
| No. of parameters | 719 | 719 | 719 |


