Table 2. Symmetry-operator reliabilities (R symop) for alternate models (%).
Statistical values are computed to a limiting resolution of 3.5 Å.
| Operator short notation† | Model A2 (Icalc) | Model A2 (Iobs) | Model A3 (Icalc) | Model A3 (Iobs) |
|---|---|---|---|---|
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1.6 | 3.8 | 2.5 | 4.3 |
| 2z | 0.0 | 0.0 | 2.8 | 3.6 |
| 2y | 27.4 | 42.2 | 27.3 | 42.8 |
| 2x | 27.4 | 42.2 | 27.3 | 42.9 |
| 2xy | 27.4 | 42.2 | 27.3 | 42.4 |
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27.4 | 42.2 | 27.3 | 42.1 |
Rotation-axis directions are expressed in the reference setting of the tetragonal structure, A1, thus the fourfold along z.

