Table 2. Comparison of success rates for different values of the n_ref(1)1 parameter (§3.2.1).
The first row and the first column show the parameter values. The diagonal and the redundant lower triangle are omitted. Each cell shows three triples of success rates, for the r.m.s.d. cutoffs 1.0 Å (first row), 0.5 Å (second row) and 0.25 Å (third row), respectively. The left value in each triple is the number of times the success rate obtained with the parameter value given by the corresponding row was at least 2% better than that with the parameter value given by the corresponding column (§2.5); the right value is the number of times the success rate obtained with the parameter value given by the corresponding column was at least 2% better than that with the parameter value given by the corresponding row; the value in the middle is the number of times the difference between the success rates was smaller than 2%.
| n_ref(1)1 | 80 | 100 | 120 | 200 | 400 |
|---|---|---|---|---|---|
| 60 | (26, 66, 28) | (25, 62, 33) | (28, 54, 38) | (30, 56, 34) | (38, 49, 33) |
| (26, 65, 29) | (25, 63, 32) | (28, 53, 39) | (30, 56, 34) | (39, 48, 33) | |
| (26, 71, 23) | (25, 68, 27) | (27, 59, 34) | (27, 59, 34) | (34, 54, 32) | |
| 80 | (24, 72, 24) | (27, 63, 30) | (35, 53, 32) | (39, 55, 26) | |
| (23, 73, 24) | (26, 64, 30) | (35, 54, 31) | (39, 55, 26) | ||
| (21, 77, 22) | (23, 67, 30) | (29, 60, 31) | (32, 62, 26) | ||
| 100 | (27, 69, 24) | (34, 66, 20) | (42, 55, 23) | ||
| (27, 69, 24) | (33, 67, 20) | (41, 56, 23) | |||
| (25, 73, 22) | (27, 73, 20) | (35, 63, 22) | |||
| 120 | (28, 58, 34) | (37, 55, 28) | |||
| (28, 58, 34) | (37, 55, 28) | ||||
| (23, 64, 33) | (31, 62, 27) | ||||
| 200 | (33, 66, 21) | ||||
| (34, 65, 21) | |||||
| (31, 69, 20) |