File size: 2,209 Bytes
df32294 | 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 44 45 46 47 48 49 50 51 52 53 54 55 56 57 58 59 60 61 62 63 64 65 66 67 68 69 70 71 72 73 74 75 76 77 78 79 80 81 82 83 84 85 86 87 88 89 90 91 92 93 94 95 96 97 98 99 100 101 102 103 104 105 106 107 108 109 110 111 112 113 | {
"phase": "Phase 6: Quality Audit",
"timestamp": "2026-07-21 23:12:16",
"score_distribution": {
"mean": 77.44848012237001,
"median": 78.0,
"std": 7.596226967988087,
"min": 48.0,
"max": 88.0
},
"calibration": [
{
"bin": "50-60",
"n": 4807,
"valid_pct": 0.0,
"sg_pct": 99.8,
"complete_pct": 99.8
},
{
"bin": "60-70",
"n": 32273,
"valid_pct": 26.4,
"sg_pct": 100.0,
"complete_pct": 100.0
},
{
"bin": "70-80",
"n": 146001,
"valid_pct": 99.0,
"sg_pct": 100.0,
"complete_pct": 100.0
},
{
"bin": "80-90",
"n": 83649,
"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,
"max": 15
},
"novelty": {
"mean": 14.207444176176837,
"max": 15
},
"chemical": {
"mean": 14.97621957620383,
"max": 15
}
},
"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
}
} |