From: Extending rule-based methods to model molecular geometry and 3D model resolution
 |  | Model percent reduction | ||||||
---|---|---|---|---|---|---|---|---|
Cfg | Value | 0 % | 25 % | 50 % | 65 % | 75 % | 90 % | 95 % |
N | Cutoff | 7.0–8.7 | 5.6–6.2 | 5.5 | 5.5 | 4.0–5.4 | 4.0–5.4 | 4.0–5.4 |
 | k f1 | 1.00 | 1.00 | 1.00 | 1.00 | 1.00 | 1.00 | 1.00 |
 | k f2 | 6.60e–03 | 7.58e–03 | 3.86e–03 | 4.90e–04 | 1.27e–03 | 1.17e–02 | 1.64e–02 |
 | k r | 0.01 | 0.01 | 0.01 | 0.01 | 0.01 | 0.01 | 0.01 |
 | σ | 7.03e–04 | 3.62e–04 | 6.30e–05 | 1.62e–03 | 6.31e–04 | 1.29e–04 | 9.25e–04 |
S | Cutoff | 6.8–8.3 | 5.8–6.0 | 5.8–6.0 | 5.8–6.0 | 5.4–5.7 | 4.5–5.3 | 4.5–5.3 |
 | k f1 | 1.00 | 1.00 | 1.00 | 1.00 | 1.00 | 1.00 | 1.00 |
 | k f2 | 3.56e–03 | 1.03e–02 | 8.67e–03 | 7.84e–03 | 4.12e–03 | 6.38e–03 | 5.58e–03 |
 | k r | 0.01 | 0.01 | 0.01 | 0.01 | 0.01 | 0.01 | 0.01 |
 | σ | 1.35e–04 | 1.65e–03 | 1.48e–04 | 3.78e–04 | 9.40e–05 | 6.77e–04 | 4.00e–05 |
U | Cutoff | 6.8-8.6 | 6.8–8.6 | 5.3 | 5.3 | 5.3 | 4.1–5.2 | 3.9–4.0 |
 | k f1 | 1.00 | 1.00 | 1.00 | 1.00 | 1.00 | 1.00 | 1.00 |
 | k f2 | 7.32e-03 | 1.07e–02 | 1.94e–03 | 1.18e–03 | 1.01e–02 | 1.04e–02 | 4.26e–03 |
 | k r | 0.01 | 0.01 | 0.01 | 0.01 | 0.01 | 0.01 | 0.01 |
 | σ | 4.69e–04 | 1.41e–03 | 5.97e–04 | 2.77e–04 | 5.23e–04 | 3.18e–04 | 2.59e–04 |