PBL: pentane-2,2,4,4-tetrol
| Best-fitted instance in this entry |
| Other instances in this entry |
| Identifier | Ranking for goodness of fit | Ranking for geometry | Real space R factor | Real space correlation coefficient | RMSZ-bond-length | RMSZ-bond-angle | Outliers of bond length | Outliers of bond angle | Atomic clashes | Stereochemical errors | Model completeness | Average occupancy |
|---|
| 3AIA_PBL_A_207 | 52% | 26% | 0.132 | 0.889 | 2.33 | 0.83 | 4 | - | 0 | 0 | 100% | 1 |
| 3AIA_PBL_B_207 | 31% | 31% | 0.144 | 0.813 | 2.42 | 0.47 | 5 | - | 0 | 0 | 100% | 1 |
