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| Number of incorrect assignments caused by failures in | |||||
|---|---|---|---|---|---|
| Reliability level | CIF | Disorder resolution | Bond detection | Bond types, atom charges | Bug |
| 3 | 3 | 3 | 0 | 2 | 0 |
| 2 | 22 | 24 | 29 | 17 | 3 |
| 1 | 29 | 24 | 48 | 113 | 5 |
| 0 | 9 | 87 | 28 | 50 | 2 |
| All | 63 | 138 | 105 | 182 | 10 |
CIF = incomplete or grossly inaccurate information in the CIF.
Some incorrect assignments were ascribed to more than one cause.
