| { |
| "phase": "Phase 6: Quality Audit", |
| "timestamp": "2026-07-21 23:12:16", |
| "score_distribution": { |
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| "std": 7.596226967988087, |
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| "max": 88.0 |
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| "calibration": [ |
| { |
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| "valid_pct": 0.0, |
| "sg_pct": 99.8, |
| "complete_pct": 99.8 |
| }, |
| { |
| "bin": "60-70", |
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| "complete_pct": 100.0 |
| }, |
| { |
| "bin": "70-80", |
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| "sg_pct": 100.0, |
| "complete_pct": 100.0 |
| }, |
| { |
| "bin": "80-90", |
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| "valid_pct": 99.9, |
| "sg_pct": 100.0, |
| "complete_pct": 100.0 |
| } |
| ], |
| "monotonic_valid_pct": true, |
| "monotonic_sg_pct": true, |
| "per_source_scores": { |
| "mp": { |
| "mean": 87.44164898454078 |
| }, |
| "oqmd": { |
| "mean": 73.36850622889743 |
| }, |
| "jarvis": { |
| "mean": 77.78117087991275 |
| } |
| }, |
| "sub_scores": { |
| "geometry": { |
| "mean": 16.74465755889807, |
| "max": 23 |
| }, |
| "dft": { |
| "mean": 19.696942998965252, |
| "max": 20 |
| }, |
| "metadata": { |
| "mean": 11.82321581212603, |
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| }, |
| "novelty": { |
| "mean": 14.207444176176837, |
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| }, |
| "chemical": { |
| "mean": 14.97621957620383, |
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| } |
| }, |
| "findings": [ |
| { |
| "severity": "PASS", |
| "phase": "calibration", |
| "check": "monotonic_valid_pct", |
| "status": "valid% increases with score", |
| "detail": "" |
| }, |
| { |
| "severity": "PASS", |
| "phase": "calibration", |
| "check": "monotonic_sg_pct", |
| "status": "SG% increases with score", |
| "detail": "" |
| }, |
| { |
| "severity": "HIGH", |
| "phase": "source_bias", |
| "check": "mp_oqmd_score_diff", |
| "status": "p=0.0000, diff=14.1", |
| "detail": "" |
| }, |
| { |
| "severity": "MEDIUM", |
| "phase": "score_range", |
| "check": "no_scores_ge90", |
| "status": "0 entries \u2265 90 \u2014 scoring is conservative", |
| "detail": "" |
| } |
| ], |
| "summary": { |
| "CRITICAL": 0, |
| "HIGH": 1, |
| "MEDIUM": 1, |
| "LOW": 0, |
| "PASS": 2 |
| } |
| } |
