Table 2. Results of automatic ice-ring detection in phenix.xtriage (Zwart et al., 2005 ▸) and CTRUNCATE (Winn et al., 2011 ▸) for 200 cases randomly selected from the PDB, as described in §5.2.
There were 42 data sets that contained ice rings (see test set C in the Supporting Information). Six cases where data at ice-ring resolutions had been omitted were included in this test set. phenix.xtriage gives a message if only one ice ring has been found instead of an ice-ring warning; for the purposes of this test these messages were treated as ‘positives’.
| Correct positives | Correct negatives | False positives | False negatives | |
|---|---|---|---|---|
| phenix.xtriage | 14/42 | 145/158 | 13 | 28 |
| CTRUNCATE | 23/42 | 88/158 | 70 | 19 |
| AUSPEX | 25/42 | 143/158 | 14 | 17 |