Publish audit summary, defect flags, and entry audit flags

.gitattributes

@@ -6,3 +6,5 @@ battery_subset_v3.json filter=lfs diff=lfs merge=lfs -text
 entries_final_v3.json filter=lfs diff=lfs merge=lfs -text
 dataset/entries_v3.parquet filter=lfs diff=lfs merge=lfs -text
 dataset/entries_v4_typed.parquet filter=lfs diff=lfs merge=lfs -text
+audit/entry_audit_flags.json filter=lfs diff=lfs merge=lfs -text
+audit/entry_defect_flags.json filter=lfs diff=lfs merge=lfs -text

audit/REPOSITORY_AUDIT.md

@@ -99,8 +99,8 @@
 📁 evaluate.py
   📁 results_mean_baseline_20260721_225304.json
   📁 results_median_baseline_20260721_225434.json
-📁 battery_subset_v3.json
-📁 electrolyte_subset_v3.json
+📁 battery_candidate_subset_v1.json
+📁 solid_electrolyte_candidate_subset_v1.json
 📁 entries_final_v3.json
   📁 chemistry_held_out.json
   📁 composition_held_out.json

audit/audit_summary.json

@@ -0,0 +1,138 @@
+{
+  "version": "v1.0.0",
+  "generated_at": "2026-07-25T00:00:00Z",
+  "phases": {
+    "phase1_raw_data": {
+      "focus": "Raw data integrity",
+      "critical_findings": 1,
+      "high_findings": 0,
+      "details": {
+        "jarvis_eah_missing": "JARVIS-DFT does not compute energy_above_hull; resolved via internal convex hull"
+      }
+    },
+    "phase2_structure": {
+      "focus": "Structure validity",
+      "critical_findings": 0,
+      "high_findings": 1,
+      "details": {
+        "single_atom_entries": {
+          "count": 38,
+          "entries_affected": "38 OQMD single-atom structures",
+          "resolution": "Flagged but retained"
+        }
+      }
+    },
+    "phase3_property": {
+      "focus": "Property plausibility",
+      "critical_findings": 3,
+      "high_findings": 1,
+      "details": {
+        "fe_outliers_gt_5": {
+          "count": 42,
+          "max": 45.17,
+          "tier_isolation": "Zero in Gold tier",
+          "resolution": "Tier-isolated via G10 (quality >= 80)"
+        },
+        "eah_outliers_gt_5": {
+          "count": 87,
+          "max": 47.03,
+          "tier_isolation": "Zero in Gold tier",
+          "resolution": "Tier-isolated via G10"
+        },
+        "jarvis_eah_null": {
+          "count": 25673,
+          "percent": 100,
+          "resolution": "Now 96.5% coverage via internal hull in v1.0.0-rc2"
+        }
+      }
+    },
+    "phase4_duplicate": {
+      "focus": "Duplicate analysis",
+      "critical_findings": 0,
+      "high_findings": 0,
+      "details": {
+        "total_duplicates_removed": 31997,
+        "duplicate_groups": 21140,
+        "three_way_overlap": {
+          "mp_jarvis": 11741,
+          "jarvis_oqmd": 339,
+          "mp_oqmd": 225,
+          "all_three": 195
+        }
+      }
+    },
+    "phase5_repair": {
+      "focus": "Repair verification",
+      "critical_findings": 0,
+      "high_findings": 0,
+      "details": {
+        "coordinate_artifacts": {
+          "entries": 171780,
+          "source": "OQMD",
+          "method": "structure_json overwrite",
+          "confidence": "High"
+        },
+        "space_group_symmetry": {
+          "entries": 171764,
+          "source": "OQMD",
+          "method": "spglib (11 workers)",
+          "confidence": "High"
+        },
+        "volume_zero_to_computed": {
+          "entries": 73480,
+          "method": "Lattice vector cross product",
+          "confidence": "High"
+        },
+        "density_zero_to_computed": {
+          "entries": 47807,
+          "source": "OQMD",
+          "method": "Atomic mass / volume",
+          "confidence": "High"
+        }
+      }
+    },
+    "phase6_quality": {
+      "focus": "Quality calibration",
+      "critical_findings": 0,
+      "high_findings": 1,
+      "details": {
+        "mp_oqmd_score_bias": {
+          "mp_mean": 87.4,
+          "oqmd_mean": 73.2,
+          "root_cause": "MP uses finer computational parameters",
+          "mitigation": "Score calibration is consistent per-source"
+        }
+      }
+    },
+    "phase7_scientific": {
+      "focus": "Scientific distributions",
+      "critical_findings": 0,
+      "high_findings": 0,
+      "details": {
+        "fe_mean": -0.578,
+        "fe_median": -0.196,
+        "eah_mean": 0.386,
+        "bg_metals_pct": 74.1,
+        "bg_wide_gap_pct": 4.0
+      }
+    },
+    "phase8_metadata": {
+      "focus": "Metadata completeness",
+      "critical_findings": 0,
+      "high_findings": 0,
+      "details": {
+        "tier_distribution": {
+          "gold": 96242,
+          "validated": 140382,
+          "raw": 30108,
+          "experimental_gold": 498
+        }
+      }
+    }
+  },
+  "total_checks": 78,
+  "total_critical": 4,
+  "total_high": 3,
+  "all_critical_tier_isolated": true,
+  "zero_critical_in_gold": true
+}

audit/entry_audit_flags.json

@@ -0,0 +1,3 @@
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+size 92374813

audit/entry_defect_flags.json

@@ -0,0 +1,3 @@
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+oid sha256:af7b5c167ebf39a2ff263d121b25ae14f289554ff19339cb1756451dfdd5b247
+size 30758231