Lennard-Jones descriptor pilot
Verdict: rejected. The pre-registered pair is normalized radius of gyration × mean coordination at cutoff 1.35.
| Measure | Result | Gate |
|---|---|---|
| Reachable normalized radius | 0.5786 … 0.6664 | diagnostic |
| Reachable mean coordination | 2.0526 … 3.5789 | diagnostic |
| Absolute rank correlation | 0.6455 | ≤ 0.90 |
| Bound clipping | 0.0000 | ≤ 0.05 |
| Mean 12×12 coverage | 0.0301 | ≥ 0.08 |
| Perturbation same-niche retention | 0.9271 | ≥ 0.60 |
| Coarse 6×6 retention | 1.0000 | ≥ 0.75 |
| Cutoff ±0.01 retention | 0.8490 | ≥ 0.60 |
The candidate generator and thresholds were frozen before this archive was inspected. A rejected gate is evidence about descriptor reachability or stability; it is not repaired by changing bins after seeing the result.