{ "agreement_count": 75, "agreement_rate": 0.5208333333333334, "agreement_total": 144, "diagnostic": "D1_substantivity_integrity_finished", "disagreement_count": 69, "disagreements": [ { "agrees": false, "boundary_classification": "wild", "boundary_crossed": null, "cas": "100-52-7", "coefficient_tier_recomputed": "top", "distance_to_boundary_coeff_units": null, "measured_coefficient": 1, "measured_tier": "top", "name": "Almonds", "poucher_tier": "base", "tier_step_distance": 2 }, { "agrees": false, "boundary_classification": "wild", "boundary_crossed": null, "cas": "101-84-8", "coefficient_tier_recomputed": "top", "distance_to_boundary_coeff_units": null, "measured_coefficient": 10, "measured_tier": "top", "name": "Diphenyl oxide", "poucher_tier": "base", "tier_step_distance": 2 }, { "agrees": false, "boundary_classification": "near-boundary", "boundary_crossed": "mid_base_60_61", "cas": "102-16-9", "coefficient_tier_recomputed": "mid", "distance_to_boundary_coeff_units": 0.0, 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"mid", "name": "Anisic alcohol", "poucher_tier": "base", "tier_step_distance": 1 }, { "agrees": false, "boundary_classification": "wild", "boundary_crossed": null, "cas": "105-85-1", "coefficient_tier_recomputed": "top", "distance_to_boundary_coeff_units": null, "measured_coefficient": 9, "measured_tier": "top", "name": "Citronellyl formate", "poucher_tier": "base", "tier_step_distance": 2 }, { "agrees": false, "boundary_classification": "wild", "boundary_crossed": "top_mid_14_15", "cas": "106-22-9", "coefficient_tier_recomputed": "top", "distance_to_boundary_coeff_units": 10.0, "measured_coefficient": 4, "measured_tier": "top", "name": "Citronellol", "poucher_tier": "mid", "tier_step_distance": 1 }, { "agrees": false, "boundary_classification": "wild", "boundary_crossed": "top_mid_14_15", "cas": "106-24-1", "coefficient_tier_recomputed": "top", "distance_to_boundary_coeff_units": 8.0, "measured_coefficient": 6, "measured_tier": "top", "name": "Geraniol ex palmarosa", "poucher_tier": 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"top", "distance_to_boundary_coeff_units": null, "measured_coefficient": 8, "measured_tier": "top", "name": "Nonyl aldehyde", "poucher_tier": "base", "tier_step_distance": 2 }, { "agrees": false, "boundary_classification": "wild", "boundary_crossed": null, "cas": "126-64-7", "coefficient_tier_recomputed": "top", "distance_to_boundary_coeff_units": null, "measured_coefficient": 9, "measured_tier": "top", "name": "Linalyl benzoate", "poucher_tier": "base", "tier_step_distance": 2 }, { "agrees": false, "boundary_classification": "wild", "boundary_crossed": null, "cas": "1335-46-2", "coefficient_tier_recomputed": "top", "distance_to_boundary_coeff_units": null, "measured_coefficient": 14, "measured_tier": "top", "name": "Methyl ionone", "poucher_tier": "base", "tier_step_distance": 2 }, { "agrees": false, "boundary_classification": "wild", "boundary_crossed": "top_mid_14_15", "cas": "140-11-4", "coefficient_tier_recomputed": "top", "distance_to_boundary_coeff_units": 13.0, 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"tier_step_distance": 1 }, { "agrees": false, "boundary_classification": "wild", "boundary_crossed": null, "cas": "68127-65-1", "coefficient_tier_recomputed": "top", "distance_to_boundary_coeff_units": null, "measured_coefficient": 5, "measured_tier": "top", "name": "Rhodinol", "poucher_tier": "base", "tier_step_distance": 2 }, { "agrees": false, "boundary_classification": "near-boundary", "boundary_crossed": "top_mid_14_15", "cas": "68606-83-7", "coefficient_tier_recomputed": "top", "distance_to_boundary_coeff_units": 0.0, "measured_coefficient": 14, "measured_tier": "top", "name": "Cananga", "poucher_tier": "mid", "tier_step_distance": 1 }, { "agrees": false, "boundary_classification": "near-boundary", "boundary_crossed": "mid_base_60_61", "cas": "7212-44-4", "coefficient_tier_recomputed": "mid", "distance_to_boundary_coeff_units": 5.0, "measured_coefficient": 55, "measured_tier": "mid", "name": "Nerolidol", "poucher_tier": "base", "tier_step_distance": 1 }, { "agrees": false, "boundary_classification": "wild", "boundary_crossed": null, "cas": "8000-27-9", "coefficient_tier_recomputed": "top", "distance_to_boundary_coeff_units": null, "measured_coefficient": 8, "measured_tier": "top", "name": "Cedarwood", "poucher_tier": "base", "tier_step_distance": 2 }, { "agrees": false, "boundary_classification": "wild", "boundary_crossed": "top_mid_14_15", "cas": "8000-28-0", "coefficient_tier_recomputed": "top", "distance_to_boundary_coeff_units": 6.0, "measured_coefficient": 8, "measured_tier": "top", "name": "Lavender", "poucher_tier": "mid", "tier_step_distance": 1 }, { "agrees": false, "boundary_classification": "wild", "boundary_crossed": "top_mid_14_15", "cas": "8000-29-1", "coefficient_tier_recomputed": "top", "distance_to_boundary_coeff_units": 6.0, "measured_coefficient": 8, "measured_tier": "top", "name": "Citronella, Ceylon", "poucher_tier": "mid", "tier_step_distance": 1 }, { "agrees": false, "boundary_classification": "wild", "boundary_crossed": "top_mid_14_15", "cas": "8000-41-7", "coefficient_tier_recomputed": "top", "distance_to_boundary_coeff_units": 11.0, "measured_coefficient": 3, "measured_tier": "top", "name": "Terpineol", "poucher_tier": "mid", "tier_step_distance": 1 }, { "agrees": false, "boundary_classification": "near-boundary", "boundary_crossed": "top_mid_14_15", "cas": "8000-42-8", "coefficient_tier_recomputed": "top", "distance_to_boundary_coeff_units": 5.0, "measured_coefficient": 9, "measured_tier": "top", "name": "Caraway", "poucher_tier": "mid", "tier_step_distance": 1 }, { "agrees": false, "boundary_classification": "wild", "boundary_crossed": "mid_base_60_61", "cas": "8000-48-4", "coefficient_tier_recomputed": "mid", "distance_to_boundary_coeff_units": 45.0, "measured_coefficient": 15, "measured_tier": "mid", "name": "Eucalyptus", "poucher_tier": "base", "tier_step_distance": 1 }, { "agrees": false, "boundary_classification": "wild", "boundary_crossed": null, "cas": "8006-78-8", "coefficient_tier_recomputed": "top", "distance_to_boundary_coeff_units": null, "measured_coefficient": 6, "measured_tier": "top", "name": "Bay", "poucher_tier": "base", "tier_step_distance": 2 }, { "agrees": false, "boundary_classification": "wild", "boundary_crossed": null, "cas": "8006-84-6", "coefficient_tier_recomputed": "top", "distance_to_boundary_coeff_units": null, "measured_coefficient": 14, "measured_tier": "top", "name": "Fennel", "poucher_tier": "base", "tier_step_distance": 2 }, { "agrees": false, "boundary_classification": "near-boundary", "boundary_crossed": "top_mid_14_15", "cas": "8006-90-4", "coefficient_tier_recomputed": "top", "distance_to_boundary_coeff_units": 5.0, "measured_coefficient": 9, "measured_tier": "top", "name": "Peppermint, American", "poucher_tier": "mid", "tier_step_distance": 1 }, { "agrees": false, "boundary_classification": "near-boundary", "boundary_crossed": "top_mid_14_15", "cas": "8007-02-1", "coefficient_tier_recomputed": "top", "distance_to_boundary_coeff_units": 0.0, "measured_coefficient": 14, "measured_tier": "top", "name": "Lemongrass", "poucher_tier": "mid", "tier_step_distance": 1 }, { "agrees": false, "boundary_classification": "wild", "boundary_crossed": "top_mid_14_15", "cas": "8007-35-0", "coefficient_tier_recomputed": "top", "distance_to_boundary_coeff_units": 9.0, "measured_coefficient": 5, "measured_tier": "top", "name": "Terpinyl acetate", "poucher_tier": "mid", "tier_step_distance": 1 }, { "agrees": false, "boundary_classification": "wild", "boundary_crossed": "top_mid_14_15", "cas": "8007-46-3", "coefficient_tier_recomputed": "top", "distance_to_boundary_coeff_units": 8.0, "measured_coefficient": 6, "measured_tier": "top", "name": "Thyme white", "poucher_tier": "mid", "tier_step_distance": 1 }, { "agrees": false, "boundary_classification": "wild", "boundary_crossed": "top_mid_14_15", "cas": "8007-75-8", "coefficient_tier_recomputed": "top", "distance_to_boundary_coeff_units": 8.0, "measured_coefficient": 6, "measured_tier": "top", "name": "Bergamot", "poucher_tier": "mid", "tier_step_distance": 1 }, { "agrees": false, "boundary_classification": "wild", "boundary_crossed": null, "cas": "8008-45-5", "coefficient_tier_recomputed": "top", "distance_to_boundary_coeff_units": null, "measured_coefficient": 14, "measured_tier": "top", "name": "Nutmeg", "poucher_tier": "base", "tier_step_distance": 2 }, { "agrees": false, "boundary_classification": "wild", "boundary_crossed": "top_mid_14_15", "cas": "8008-56-8", "coefficient_tier_recomputed": "top", "distance_to_boundary_coeff_units": 9.0, "measured_coefficient": 5, "measured_tier": "top", "name": "Lemon", "poucher_tier": "mid", "tier_step_distance": 1 }, { "agrees": false, "boundary_classification": "wild", "boundary_crossed": "mid_base_60_61", "cas": "8014-09-3", "coefficient_tier_recomputed": "base", "distance_to_boundary_coeff_units": 39.0, "measured_coefficient": 100, "measured_tier": "base", "name": "Patchouli", "poucher_tier": "mid", "tier_step_distance": 1 }, { "agrees": false, "boundary_classification": "wild", "boundary_crossed": "top_mid_14_15", "cas": "8014-17-3", "coefficient_tier_recomputed": "top", "distance_to_boundary_coeff_units": 6.0, "measured_coefficient": 8, "measured_tier": "top", "name": "Petitgrain, French", "poucher_tier": "mid", "tier_step_distance": 1 }, { "agrees": false, "boundary_classification": "wild", "boundary_crossed": null, "cas": "8014-19-5", "coefficient_tier_recomputed": "top", "distance_to_boundary_coeff_units": null, "measured_coefficient": 14, "measured_tier": "top", "name": "Palmarosa", "poucher_tier": "base", "tier_step_distance": 2 }, { "agrees": false, "boundary_classification": "near-boundary", "boundary_crossed": "mid_base_60_61", "cas": "8015-64-3", "coefficient_tier_recomputed": "mid", "distance_to_boundary_coeff_units": 2.0, "measured_coefficient": 58, "measured_tier": "mid", "name": "Angelica root", "poucher_tier": "base", "tier_step_distance": 1 }, { "agrees": false, "boundary_classification": "wild", "boundary_crossed": null, "cas": "8015-73-4", "coefficient_tier_recomputed": "top", "distance_to_boundary_coeff_units": null, "measured_coefficient": 14, "measured_tier": "top", "name": "Basilic", "poucher_tier": "base", "tier_step_distance": 2 }, { "agrees": false, "boundary_classification": "wild", "boundary_crossed": "mid_base_60_61", "cas": "8016-96-4", "coefficient_tier_recomputed": "base", "distance_to_boundary_coeff_units": 39.0, "measured_coefficient": 100, "measured_tier": "base", "name": "Vetivert", "poucher_tier": "mid", "tier_step_distance": 1 }, { "agrees": false, "boundary_classification": "wild", "boundary_crossed": "mid_base_60_61", "cas": "8021-15-0", "coefficient_tier_recomputed": "mid", "distance_to_boundary_coeff_units": 8.0, "measured_coefficient": 52, "measured_tier": "mid", "name": "Opoponax oil", "poucher_tier": "base", "tier_step_distance": 1 }, { "agrees": false, "boundary_classification": "near-boundary", "boundary_crossed": "top_mid_14_15", "cas": "8022-09-9", "coefficient_tier_recomputed": "top", "distance_to_boundary_coeff_units": 5.0, "measured_coefficient": 9, "measured_tier": "top", "name": "Spike lavender", "poucher_tier": "mid", "tier_step_distance": 1 }, { "agrees": false, "boundary_classification": "wild", "boundary_crossed": null, "cas": "8022-62-6", "coefficient_tier_recomputed": "top", "distance_to_boundary_coeff_units": null, "measured_coefficient": 14, "measured_tier": "top", "name": "Reseda absolute", "poucher_tier": "base", "tier_step_distance": 2 }, { "agrees": false, "boundary_classification": "near-boundary", "boundary_crossed": "top_mid_14_15", "cas": "8023-70-5", "coefficient_tier_recomputed": "top", "distance_to_boundary_coeff_units": 4.0, "measured_coefficient": 10, "measured_tier": "top", "name": "Ginger", "poucher_tier": "mid", "tier_step_distance": 1 }, { "agrees": false, "boundary_classification": "near-boundary", "boundary_crossed": "top_mid_14_15", "cas": "8023-82-3", "coefficient_tier_recomputed": "top", "distance_to_boundary_coeff_units": 4.0, "measured_coefficient": 10, "measured_tier": "top", "name": "Myrrh oil", "poucher_tier": "mid", "tier_step_distance": 1 }, { "agrees": false, "boundary_classification": "wild", "boundary_crossed": null, "cas": "8023-87-6", "coefficient_tier_recomputed": "top", "distance_to_boundary_coeff_units": null, "measured_coefficient": 14, "measured_tier": "top", "name": "Mimosa absolute", "poucher_tier": "base", "tier_step_distance": 2 }, { "agrees": false, "boundary_classification": "wild", "boundary_crossed": "mid_base_60_61", "cas": "8023-91-4", "coefficient_tier_recomputed": "mid", "distance_to_boundary_coeff_units": 8.0, "measured_coefficient": 52, "measured_tier": "mid", "name": "Galbanum resin", "poucher_tier": "base", "tier_step_distance": 1 }, { "agrees": false, "boundary_classification": "near-boundary", "boundary_crossed": "mid_base_60_61", "cas": "83-54-5", "coefficient_tier_recomputed": "mid", "distance_to_boundary_coeff_units": 0.0, "measured_coefficient": 60, "measured_tier": "mid", "name": "Rhodinyl formate", "poucher_tier": "base", "tier_step_distance": 1 }, { "agrees": false, "boundary_classification": "wild", "boundary_crossed": "mid_base_60_61", "cas": "9000-50-6", "coefficient_tier_recomputed": "base", "distance_to_boundary_coeff_units": 39.0, "measured_coefficient": 100, "measured_tier": "base", "name": "Oakmoss", "poucher_tier": "mid", "tier_step_distance": 1 }, { "agrees": false, "boundary_classification": "wild", "boundary_crossed": "mid_base_60_61", "cas": "91-64-5", "coefficient_tier_recomputed": "base", "distance_to_boundary_coeff_units": 39.0, "measured_coefficient": 100, "measured_tier": "base", "name": "Coumarin", "poucher_tier": "mid", "tier_step_distance": 1 }, { "agrees": false, "boundary_classification": "wild", "boundary_crossed": "mid_base_60_61", "cas": "91771-61-8", "coefficient_tier_recomputed": "mid", "distance_to_boundary_coeff_units": 42.0, "measured_coefficient": 18, "measured_tier": "mid", "name": "Citronella, Java", "poucher_tier": "base", "tier_step_distance": 1 }, { "agrees": false, "boundary_classification": "wild", "boundary_crossed": null, "cas": "94-48-4", "coefficient_tier_recomputed": "top", "distance_to_boundary_coeff_units": null, "measured_coefficient": 4, "measured_tier": "top", "name": "Geranyl benzoate", "poucher_tier": "base", "tier_step_distance": 2 }, { "agrees": false, "boundary_classification": "wild", "boundary_crossed": null, "cas": "94-59-7", "coefficient_tier_recomputed": "top", "distance_to_boundary_coeff_units": null, "measured_coefficient": 3, "measured_tier": "top", "name": "Sassafras", "poucher_tier": "base", "tier_step_distance": 2 }, { "agrees": false, "boundary_classification": "wild", "boundary_crossed": null, "cas": "98-86-2", "coefficient_tier_recomputed": "top", "distance_to_boundary_coeff_units": null, "measured_coefficient": 1, "measured_tier": "top", "name": "Acetophenone", "poucher_tier": "base", "tier_step_distance": 2 } ], "histogram": { "near-boundary": 12, "wild": 57 }, "histogram_by_pair": { "base->mid:wild": 5, "base->top:wild": 1, "mid->base:near-boundary": 4, "mid->base:wild": 8, "top->base:wild": 26, "top->mid:near-boundary": 8, "top->mid:wild": 17 }, "pimt_version": "v8", "verdict": { "measured_170_stands": true, "phase1_conclusion_survives": true, "phase1_recompute_reason": "Wild cases are mostly same-CAS source/construct disagreements or form mismatches in the auxiliary tier source, not measured-side join errors. The 170 measured coefficients remain the Phase 1 target.", "phase1_recomputed": false, "phase1_saved_best_baseline_r2": 0.24057748815493107, "phase1_saved_best_baseline_spearman_rho": 0.6130893034049266, "phase1_saved_best_structure_r2": 0.3990232662101132, "phase1_saved_best_structure_spearman_rho": 0.6633801733693918, "phase1_test_wild_non_join_cas": [ "106-29-6", "112-14-1", "118-58-1", "141-78-6", "141-97-9", "68127-65-1", "8000-29-1", "8000-41-7", "8008-45-5", "8014-09-3" ], "tier_fold_policy": "Do not fold disagreeing auxiliary tiers as substantivity supervision. Only near-boundary-consistent rows, and future join-corrected rows if any, may be folded with provenance poucher-tier; poucher-measured remains uncontaminated." }, "wild_case_causes": [ { "cas": "100-52-7", "cause": "genuine-source-disagreement", "evidence": [ "Measured coefficient 1 maps to top; auxiliary Poucher profile tier is base.", "Measured source names: Almonds, Benzaldehyde; tier row name: Almonds.", "Both sides are keyed to the same CAS and no local name evidence points to a different material; treat as source/construct disagreement, not a measured-coefficient failure." ], "measured_coefficient": 1, "measured_tier": "top", "name": "Almonds", "phase1_scaffold_test_member": false, "poucher_tier": "base" }, { "cas": "101-84-8", "cause": "genuine-source-disagreement", "evidence": [ "Measured coefficient 10 maps to top; auxiliary Poucher profile tier is base.", "Measured source names: Diphenyl oxide; tier row name: Diphenyl oxide.", "Both sides are keyed to the same CAS and no local name evidence points to a different material; treat as source/construct disagreement, not a measured-coefficient failure." ], "measured_coefficient": 10, "measured_tier": "top", "name": "Diphenyl oxide", "phase1_scaffold_test_member": false, "poucher_tier": "base" }, { "cas": "103-45-7", "cause": "genuine-source-disagreement", "evidence": [ "Measured coefficient 1 maps to top; auxiliary Poucher profile tier is mid.", "Measured source names: Phenylethyl acetate; tier row name: Phenylethyl acetate.", "Both sides are keyed to the same CAS and no local name evidence points to a different material; treat as source/construct disagreement, not a measured-coefficient failure." ], "measured_coefficient": 1, "measured_tier": "top", "name": "Phenylethyl acetate", "phase1_scaffold_test_member": false, "poucher_tier": "mid" }, { "cas": "103-48-0", "cause": "genuine-source-disagreement", "evidence": [ "Measured coefficient 19 maps to mid; auxiliary Poucher profile tier is base.", "Measured source names: Phenylethyl iso-butyrate; tier row name: Phenylethyl iso-butyrate.", "Both sides are keyed to the same CAS and no local name evidence points to a different material; treat as source/construct disagreement, not a measured-coefficient failure." ], "measured_coefficient": 19, "measured_tier": "mid", "name": "Phenylethyl iso-butyrate", "phase1_scaffold_test_member": false, "poucher_tier": "base" }, { "cas": "103-61-7", "cause": "genuine-source-disagreement", "evidence": [ "Measured coefficient 28 maps to mid; auxiliary Poucher profile tier is base.", "Measured source names: Cinnamyl butyrate; tier row name: Cinnamyl butyrate.", "Both sides are keyed to the same CAS and no local name evidence points to a different material; treat as source/construct disagreement, not a measured-coefficient failure." ], "measured_coefficient": 28, "measured_tier": "mid", "name": "Cinnamyl butyrate", "phase1_scaffold_test_member": false, "poucher_tier": "base" }, { "cas": "104-65-4", "cause": "genuine-source-disagreement", "evidence": [ "Measured coefficient 18 maps to mid; auxiliary Poucher profile tier is base.", "Measured source names: Cinnamyl formate; tier row name: Cinnamyl formate.", "Both sides are keyed to the same CAS and no local name evidence points to a different material; treat as source/construct disagreement, not a measured-coefficient failure." ], "measured_coefficient": 18, "measured_tier": "mid", "name": "Cinnamyl formate", "phase1_scaffold_test_member": false, "poucher_tier": "base" }, { "cas": "105-13-5", "cause": "genuine-source-disagreement", "evidence": [ "Measured coefficient 47 maps to mid; auxiliary Poucher profile tier is base.", "Measured source names: Anisic alcohol; tier row name: Anisic alcohol.", "Both sides are keyed to the same CAS and no local name evidence points to a different material; treat as source/construct disagreement, not a measured-coefficient failure." ], "measured_coefficient": 47, "measured_tier": "mid", "name": "Anisic alcohol", "phase1_scaffold_test_member": false, "poucher_tier": "base" }, { "cas": "105-85-1", "cause": "genuine-source-disagreement", "evidence": [ "Measured coefficient 9 maps to top; auxiliary Poucher profile tier is base.", "Measured source names: Citronellyl formate; tier row name: Citronellyl formate.", "Both sides are keyed to the same CAS and no local name evidence points to a different material; treat as source/construct disagreement, not a measured-coefficient failure." ], "measured_coefficient": 9, "measured_tier": "top", "name": "Citronellyl formate", "phase1_scaffold_test_member": false, "poucher_tier": "base" }, { "cas": "106-22-9", "cause": "genuine-source-disagreement", "evidence": [ "Measured coefficient 4 maps to top; auxiliary Poucher profile tier is mid.", "Measured source names: Citronellol; tier row name: Citronellol.", "Both sides are keyed to the same CAS and no local name evidence points to a different material; treat as source/construct disagreement, not a measured-coefficient failure." ], "measured_coefficient": 4, "measured_tier": "top", "name": "Citronellol", "phase1_scaffold_test_member": false, "poucher_tier": "mid" }, { "cas": "106-24-1", "cause": "join-error", "evidence": [ "Measured coefficient 6 maps to top; auxiliary Poucher profile tier is mid.", "Measured source names: Geraniol ex palmarosa, Geraniol, Java; tier row name: Geraniol ex palmarosa.", "Measured extraction has an intra-CAS coefficient conflict, so identity/name aggregation must be manually corrected before folding this row." ], "measured_coefficient": 6, "measured_tier": "top", "name": "Geraniol ex palmarosa", "phase1_scaffold_test_member": false, "poucher_tier": "mid" }, { "cas": "106-25-2", "cause": "join-error", "evidence": [ "Measured coefficient 5 maps to top; auxiliary Poucher profile tier is mid.", "Measured source names: Nerol, Neroli bigarade, Neroli, Italian; tier row name: Nerol.", "Measured extraction has an intra-CAS coefficient conflict, so identity/name aggregation must be manually corrected before folding this row." ], "measured_coefficient": 5, "measured_tier": "top", "name": "Nerol", "phase1_scaffold_test_member": false, "poucher_tier": "mid" }, { "cas": "106-29-6", "cause": "genuine-source-disagreement", "evidence": [ "Measured coefficient 9 maps to top; auxiliary Poucher profile tier is base.", "Measured source names: Geranyl butyrate; tier row name: Geranyl butyrate.", "Both sides are keyed to the same CAS and no local name evidence points to a different material; treat as source/construct disagreement, not a measured-coefficient failure." ], "measured_coefficient": 9, "measured_tier": "top", "name": "Geranyl butyrate", "phase1_scaffold_test_member": true, "poucher_tier": "base" }, { "cas": "107-75-5", "cause": "genuine-source-disagreement", "evidence": [ "Measured coefficient 80 maps to base; auxiliary Poucher profile tier is mid.", "Measured source names: Hydroxy citronellal; tier row name: Hydroxy citronellal.", "Both sides are keyed to the same CAS and no local name evidence points to a different material; treat as source/construct disagreement, not a measured-coefficient failure." ], "measured_coefficient": 80, "measured_tier": "base", "name": "Hydroxy citronellal", "phase1_scaffold_test_member": false, "poucher_tier": "mid" }, { "cas": "111-12-6", "cause": "join-error", "evidence": [ "Measured coefficient 8 maps to top; auxiliary Poucher profile tier is mid.", "Measured source names: Methyl heptine carbonate, Methyl octine carbonate; tier row name: Methyl heptine carbonate.", "Measured extraction has an intra-CAS coefficient conflict, so identity/name aggregation must be manually corrected before folding this row." ], "measured_coefficient": 8, "measured_tier": "top", "name": "Methyl heptine carbonate", "phase1_scaffold_test_member": false, "poucher_tier": "mid" }, { "cas": "112-14-1", "cause": "genuine-source-disagreement", "evidence": [ "Measured coefficient 1 maps to top; auxiliary Poucher profile tier is base.", "Measured source names: Octyl acetate; tier row name: Octyl acetate.", "Both sides are keyed to the same CAS and no local name evidence points to a different material; treat as source/construct disagreement, not a measured-coefficient failure." ], "measured_coefficient": 1, "measured_tier": "top", "name": "Octyl acetate", "phase1_scaffold_test_member": true, "poucher_tier": "base" }, { "cas": "112-31-2", "cause": "genuine-source-disagreement", "evidence": [ "Measured coefficient 100 maps to base; auxiliary Poucher profile tier is top.", "Measured source names: Decyl aldehyde; tier row name: Decyl aldehyde.", "Both sides are keyed to the same CAS and no local name evidence points to a different material; treat as source/construct disagreement, not a measured-coefficient failure." ], "measured_coefficient": 100, "measured_tier": "base", "name": "Decyl aldehyde", "phase1_scaffold_test_member": false, "poucher_tier": "top" }, { "cas": "118-58-1", "cause": "genuine-source-disagreement", "evidence": [ "Measured coefficient 8 maps to top; auxiliary Poucher profile tier is base.", "Measured source names: Benzyl salicylate; tier row name: Benzyl salicylate.", "Both sides are keyed to the same CAS and no local name evidence points to a different material; treat as source/construct disagreement, not a measured-coefficient failure." ], "measured_coefficient": 8, "measured_tier": "top", "name": "Benzyl salicylate", "phase1_scaffold_test_member": true, "poucher_tier": "base" }, { "cas": "122-00-9", "cause": "genuine-source-disagreement", "evidence": [ "Measured coefficient 3 maps to top; auxiliary Poucher profile tier is mid.", "Measured source names: Methyl acetophenone; tier row name: Methyl acetophenone.", "Both sides are keyed to the same CAS and no local name evidence points to a different material; treat as source/construct disagreement, not a measured-coefficient failure." ], "measured_coefficient": 3, "measured_tier": "top", "name": "Methyl acetophenone", "phase1_scaffold_test_member": false, "poucher_tier": "mid" }, { "cas": "122-63-4", "cause": "genuine-source-disagreement", "evidence": [ "Measured coefficient 10 maps to top; auxiliary Poucher profile tier is base.", "Measured source names: Benzyl propionate; tier row name: Benzyl propionate.", "Both sides are keyed to the same CAS and no local name evidence points to a different material; treat as source/construct disagreement, not a measured-coefficient failure." ], "measured_coefficient": 10, "measured_tier": "top", "name": "Benzyl propionate", "phase1_scaffold_test_member": false, "poucher_tier": "base" }, { "cas": "124-19-6", "cause": "genuine-source-disagreement", "evidence": [ "Measured coefficient 8 maps to top; auxiliary Poucher profile tier is base.", "Measured source names: Nonyl aldehyde; tier row name: Nonyl aldehyde.", "Both sides are keyed to the same CAS and no local name evidence points to a different material; treat as source/construct disagreement, not a measured-coefficient failure." ], "measured_coefficient": 8, "measured_tier": "top", "name": "Nonyl aldehyde", "phase1_scaffold_test_member": false, "poucher_tier": "base" }, { "cas": "126-64-7", "cause": "genuine-source-disagreement", "evidence": [ "Measured coefficient 9 maps to top; auxiliary Poucher profile tier is base.", "Measured source names: Linalyl benzoate; tier row name: Linalyl benzoate.", "Both sides are keyed to the same CAS and no local name evidence points to a different material; treat as source/construct disagreement, not a measured-coefficient failure." ], "measured_coefficient": 9, "measured_tier": "top", "name": "Linalyl benzoate", "phase1_scaffold_test_member": false, "poucher_tier": "base" }, { "cas": "1335-46-2", "cause": "genuine-source-disagreement", "evidence": [ "Measured coefficient 14 maps to top; auxiliary Poucher profile tier is base.", "Measured source names: Methyl ionone; tier row name: Methyl ionone.", "Both sides are keyed to the same CAS and no local name evidence points to a different material; treat as source/construct disagreement, not a measured-coefficient failure." ], "measured_coefficient": 14, "measured_tier": "top", "name": "Methyl ionone", "phase1_scaffold_test_member": false, "poucher_tier": "base" }, { "cas": "140-11-4", "cause": "genuine-source-disagreement", "evidence": [ "Measured coefficient 1 maps to top; auxiliary Poucher profile tier is mid.", "Measured source names: Benzyl acetate; tier row name: Benzyl acetate.", "Both sides are keyed to the same CAS and no local name evidence points to a different material; treat as source/construct disagreement, not a measured-coefficient failure." ], "measured_coefficient": 1, "measured_tier": "top", "name": "Benzyl acetate", "phase1_scaffold_test_member": false, "poucher_tier": "mid" }, { "cas": "141-78-6", "cause": "genuine-source-disagreement", "evidence": [ "Measured coefficient 1 maps to top; auxiliary Poucher profile tier is base.", "Measured source names: Ethyl acetate; tier row name: Ethyl acetate.", "Both sides are keyed to the same CAS and no local name evidence points to a different material; treat as source/construct disagreement, not a measured-coefficient failure." ], "measured_coefficient": 1, "measured_tier": "top", "name": "Ethyl acetate", "phase1_scaffold_test_member": true, "poucher_tier": "base" }, { "cas": "141-97-9", "cause": "genuine-source-disagreement", "evidence": [ "Measured coefficient 1 maps to top; auxiliary Poucher profile tier is base.", "Measured source names: Ethyl acetoacetate; tier row name: Ethyl acetoacetate.", "Both sides are keyed to the same CAS and no local name evidence points to a different material; treat as source/construct disagreement, not a measured-coefficient failure." ], "measured_coefficient": 1, "measured_tier": "top", "name": "Ethyl acetoacetate", "phase1_scaffold_test_member": true, "poucher_tier": "base" }, { "cas": "144-39-8", "cause": "genuine-source-disagreement", "evidence": [ "Measured coefficient 5 maps to top; auxiliary Poucher profile tier is base.", "Measured source names: Linalyl propionate; tier row name: Linalyl propionate.", "Both sides are keyed to the same CAS and no local name evidence points to a different material; treat as source/construct disagreement, not a measured-coefficient failure." ], "measured_coefficient": 5, "measured_tier": "top", "name": "Linalyl propionate", "phase1_scaffold_test_member": false, "poucher_tier": "base" }, { "cas": "150-84-5", "cause": "genuine-source-disagreement", "evidence": [ "Measured coefficient 8 maps to top; auxiliary Poucher profile tier is base.", "Measured source names: Citronellyl acetate; tier row name: Citronellyl acetate.", "Both sides are keyed to the same CAS and no local name evidence points to a different material; treat as source/construct disagreement, not a measured-coefficient failure." ], "measured_coefficient": 8, "measured_tier": "top", "name": "Citronellyl acetate", "phase1_scaffold_test_member": false, "poucher_tier": "base" }, { "cas": "2050-08-0", "cause": "genuine-source-disagreement", "evidence": [ "Measured coefficient 8 maps to top; auxiliary Poucher profile tier is mid.", "Measured source names: Amyl salicylate; tier row name: Amyl salicylate.", "Both sides are keyed to the same CAS and no local name evidence points to a different material; treat as source/construct disagreement, not a measured-coefficient failure." ], "measured_coefficient": 8, "measured_tier": "top", "name": "Amyl salicylate", "phase1_scaffold_test_member": false, "poucher_tier": "mid" }, { "cas": "60-12-8", "cause": "genuine-source-disagreement", "evidence": [ "Measured coefficient 8 maps to top; auxiliary Poucher profile tier is mid.", "Measured source names: Phenylethyl alcohol; tier row name: Phenylethyl alcohol.", "Both sides are keyed to the same CAS and no local name evidence points to a different material; treat as source/construct disagreement, not a measured-coefficient failure." ], "measured_coefficient": 8, "measured_tier": "top", "name": "Phenylethyl alcohol", "phase1_scaffold_test_member": false, "poucher_tier": "mid" }, { "cas": "68127-65-1", "cause": "genuine-source-disagreement", "evidence": [ "Measured coefficient 5 maps to top; auxiliary Poucher profile tier is base.", "Measured source names: Rhodinol; tier row name: Rhodinol.", "Both sides are keyed to the same CAS and no local name evidence points to a different material; treat as source/construct disagreement, not a measured-coefficient failure." ], "measured_coefficient": 5, "measured_tier": "top", "name": "Rhodinol", "phase1_scaffold_test_member": true, "poucher_tier": "base" }, { "cas": "8000-27-9", "cause": "genuine-source-disagreement", "evidence": [ "Measured coefficient 8 maps to top; auxiliary Poucher profile tier is base.", "Measured source names: Cedarwood; tier row name: Cedarwood.", "Both sides are keyed to the same CAS and no local name evidence points to a different material; treat as source/construct disagreement, not a measured-coefficient failure." ], "measured_coefficient": 8, "measured_tier": "top", "name": "Cedarwood", "phase1_scaffold_test_member": false, "poucher_tier": "base" }, { "cas": "8000-28-0", "cause": "genuine-source-disagreement", "evidence": [ "Measured coefficient 8 maps to top; auxiliary Poucher profile tier is mid.", "Measured source names: Lavender; tier row name: Lavender.", "Both sides are keyed to the same CAS and no local name evidence points to a different material; treat as source/construct disagreement, not a measured-coefficient failure." ], "measured_coefficient": 8, "measured_tier": "top", "name": "Lavender", "phase1_scaffold_test_member": false, "poucher_tier": "mid" }, { "cas": "8000-29-1", "cause": "genuine-source-disagreement", "evidence": [ "Measured coefficient 8 maps to top; auxiliary Poucher profile tier is mid.", "Measured source names: Citronella, Ceylon; tier row name: Citronella, Ceylon.", "Both sides are keyed to the same CAS and no local name evidence points to a different material; treat as source/construct disagreement, not a measured-coefficient failure." ], "measured_coefficient": 8, "measured_tier": "top", "name": "Citronella, Ceylon", "phase1_scaffold_test_member": true, "poucher_tier": "mid" }, { "cas": "8000-41-7", "cause": "genuine-source-disagreement", "evidence": [ "Measured coefficient 3 maps to top; auxiliary Poucher profile tier is mid.", "Measured source names: Terpineol; tier row name: Terpineol.", "Both sides are keyed to the same CAS and no local name evidence points to a different material; treat as source/construct disagreement, not a measured-coefficient failure." ], "measured_coefficient": 3, "measured_tier": "top", "name": "Terpineol", "phase1_scaffold_test_member": true, "poucher_tier": "mid" }, { "cas": "8000-48-4", "cause": "join-error", "evidence": [ "Measured coefficient 15 maps to mid; auxiliary Poucher profile tier is base.", "Measured source names: Eucalyptus, Eucalyptus citriodora; tier row name: Eucalyptus.", "Measured extraction has an intra-CAS coefficient conflict, so identity/name aggregation must be manually corrected before folding this row." ], "measured_coefficient": 15, "measured_tier": "mid", "name": "Eucalyptus", "phase1_scaffold_test_member": false, "poucher_tier": "base" }, { "cas": "8006-78-8", "cause": "genuine-source-disagreement", "evidence": [ "Measured coefficient 6 maps to top; auxiliary Poucher profile tier is base.", "Measured source names: Bay; tier row name: Bay.", "Both sides are keyed to the same CAS and no local name evidence points to a different material; treat as source/construct disagreement, not a measured-coefficient failure." ], "measured_coefficient": 6, "measured_tier": "top", "name": "Bay", "phase1_scaffold_test_member": false, "poucher_tier": "base" }, { "cas": "8006-84-6", "cause": "genuine-source-disagreement", "evidence": [ "Measured coefficient 14 maps to top; auxiliary Poucher profile tier is base.", "Measured source names: Fennel; tier row name: Fennel.", "Both sides are keyed to the same CAS and no local name evidence points to a different material; treat as source/construct disagreement, not a measured-coefficient failure." ], "measured_coefficient": 14, "measured_tier": "top", "name": "Fennel", "phase1_scaffold_test_member": false, "poucher_tier": "base" }, { "cas": "8007-35-0", "cause": "genuine-source-disagreement", "evidence": [ "Measured coefficient 5 maps to top; auxiliary Poucher profile tier is mid.", "Measured source names: Terpinyl acetate; tier row name: Terpinyl acetate.", "Both sides are keyed to the same CAS and no local name evidence points to a different material; treat as source/construct disagreement, not a measured-coefficient failure." ], "measured_coefficient": 5, "measured_tier": "top", "name": "Terpinyl acetate", "phase1_scaffold_test_member": false, "poucher_tier": "mid" }, { "cas": "8007-46-3", "cause": "join-error", "evidence": [ "Measured coefficient 6 maps to top; auxiliary Poucher profile tier is mid.", "Measured source names: Thyme red, Thyme white; tier row name: Thyme white.", "Measured extraction has an intra-CAS coefficient conflict, so identity/name aggregation must be manually corrected before folding this row." ], "measured_coefficient": 6, "measured_tier": "top", "name": "Thyme white", "phase1_scaffold_test_member": true, "poucher_tier": "mid" }, { "cas": "8007-75-8", "cause": "genuine-source-disagreement", "evidence": [ "Measured coefficient 6 maps to top; auxiliary Poucher profile tier is mid.", "Measured source names: Bergamot; tier row name: Bergamot.", "Both sides are keyed to the same CAS and no local name evidence points to a different material; treat as source/construct disagreement, not a measured-coefficient failure." ], "measured_coefficient": 6, "measured_tier": "top", "name": "Bergamot", "phase1_scaffold_test_member": false, "poucher_tier": "mid" }, { "cas": "8008-45-5", "cause": "genuine-source-disagreement", "evidence": [ "Measured coefficient 14 maps to top; auxiliary Poucher profile tier is base.", "Measured source names: Nutmeg; tier row name: Nutmeg.", "Both sides are keyed to the same CAS and no local name evidence points to a different material; treat as source/construct disagreement, not a measured-coefficient failure." ], "measured_coefficient": 14, "measured_tier": "top", "name": "Nutmeg", "phase1_scaffold_test_member": true, "poucher_tier": "base" }, { "cas": "8008-56-8", "cause": "genuine-source-disagreement", "evidence": [ "Measured coefficient 5 maps to top; auxiliary Poucher profile tier is mid.", "Measured source names: Lemon; tier row name: Lemon.", "Both sides are keyed to the same CAS and no local name evidence points to a different material; treat as source/construct disagreement, not a measured-coefficient failure." ], "measured_coefficient": 5, "measured_tier": "top", "name": "Lemon", "phase1_scaffold_test_member": false, "poucher_tier": "mid" }, { "cas": "8014-09-3", "cause": "genuine-source-disagreement", "evidence": [ "Measured coefficient 100 maps to base; auxiliary Poucher profile tier is mid.", "Measured source names: Patchouli; tier row name: Patchouli.", "Both sides are keyed to the same CAS and no local name evidence points to a different material; treat as source/construct disagreement, not a measured-coefficient failure." ], "measured_coefficient": 100, "measured_tier": "base", "name": "Patchouli", "phase1_scaffold_test_member": true, "poucher_tier": "mid" }, { "cas": "8014-17-3", "cause": "join-error", "evidence": [ "Measured coefficient 8 maps to top; auxiliary Poucher profile tier is mid.", "Measured source names: Petitgrain para, Petitgrain, French; tier row name: Petitgrain, French.", "Measured extraction has an intra-CAS coefficient conflict, so identity/name aggregation must be manually corrected before folding this row." ], "measured_coefficient": 8, "measured_tier": "top", "name": "Petitgrain, French", "phase1_scaffold_test_member": true, "poucher_tier": "mid" }, { "cas": "8014-19-5", "cause": "genuine-source-disagreement", "evidence": [ "Measured coefficient 14 maps to top; auxiliary Poucher profile tier is base.", "Measured source names: Palmarosa; tier row name: Palmarosa.", "Both sides are keyed to the same CAS and no local name evidence points to a different material; treat as source/construct disagreement, not a measured-coefficient failure." ], "measured_coefficient": 14, "measured_tier": "top", "name": "Palmarosa", "phase1_scaffold_test_member": false, "poucher_tier": "base" }, { "cas": "8015-73-4", "cause": "genuine-source-disagreement", "evidence": [ "Measured coefficient 14 maps to top; auxiliary Poucher profile tier is base.", "Measured source names: Basilic; tier row name: Basilic.", "Both sides are keyed to the same CAS and no local name evidence points to a different material; treat as source/construct disagreement, not a measured-coefficient failure." ], "measured_coefficient": 14, "measured_tier": "top", "name": "Basilic", "phase1_scaffold_test_member": false, "poucher_tier": "base" }, { "cas": "8016-96-4", "cause": "genuine-source-disagreement", "evidence": [ "Measured coefficient 100 maps to base; auxiliary Poucher profile tier is mid.", "Measured source names: Vetivert; tier row name: Vetivert.", "Both sides are keyed to the same CAS and no local name evidence points to a different material; treat as source/construct disagreement, not a measured-coefficient failure." ], "measured_coefficient": 100, "measured_tier": "base", "name": "Vetivert", "phase1_scaffold_test_member": false, "poucher_tier": "mid" }, { "cas": "8021-15-0", "cause": "join-error", "evidence": [ "Measured coefficient 52 maps to mid; auxiliary Poucher profile tier is base.", "Measured source names: Opoponax oil, Opoponax resin; tier row name: Opoponax oil.", "Measured extraction has an intra-CAS coefficient conflict, so identity/name aggregation must be manually corrected before folding this row." ], "measured_coefficient": 52, "measured_tier": "mid", "name": "Opoponax oil", "phase1_scaffold_test_member": false, "poucher_tier": "base" }, { "cas": "8022-62-6", "cause": "form-mismatch", "evidence": [ "Measured coefficient 14 maps to top; auxiliary Poucher profile tier is base.", "Measured source names: Reseda absolute; tier row name: Reseda absolute.", "The measured/tier evidence names a natural, source-geographic, or material-form variant rather than one clean isolate." ], "measured_coefficient": 14, "measured_tier": "top", "name": "Reseda absolute", "phase1_scaffold_test_member": false, "poucher_tier": "base" }, { "cas": "8023-87-6", "cause": "form-mismatch", "evidence": [ "Measured coefficient 14 maps to top; auxiliary Poucher profile tier is base.", "Measured source names: Mimosa absolute; tier row name: Mimosa absolute.", "The measured/tier evidence names a natural, source-geographic, or material-form variant rather than one clean isolate." ], "measured_coefficient": 14, "measured_tier": "top", "name": "Mimosa absolute", "phase1_scaffold_test_member": false, "poucher_tier": "base" }, { "cas": "8023-91-4", "cause": "join-error", "evidence": [ "Measured coefficient 52 maps to mid; auxiliary Poucher profile tier is base.", "Measured source names: Galbanum oil, Galbanum resin; tier row name: Galbanum resin.", "Measured extraction has an intra-CAS coefficient conflict, so identity/name aggregation must be manually corrected before folding this row." ], "measured_coefficient": 52, "measured_tier": "mid", "name": "Galbanum resin", "phase1_scaffold_test_member": false, "poucher_tier": "base" }, { "cas": "9000-50-6", "cause": "genuine-source-disagreement", "evidence": [ "Measured coefficient 100 maps to base; auxiliary Poucher profile tier is mid.", "Measured source names: Oakmoss; tier row name: Oakmoss.", "Both sides are keyed to the same CAS and no local name evidence points to a different material; treat as source/construct disagreement, not a measured-coefficient failure." ], "measured_coefficient": 100, "measured_tier": "base", "name": "Oakmoss", "phase1_scaffold_test_member": false, "poucher_tier": "mid" }, { "cas": "91-64-5", "cause": "genuine-source-disagreement", "evidence": [ "Measured coefficient 100 maps to base; auxiliary Poucher profile tier is mid.", "Measured source names: Coumarin; tier row name: Coumarin.", "Both sides are keyed to the same CAS and no local name evidence points to a different material; treat as source/construct disagreement, not a measured-coefficient failure." ], "measured_coefficient": 100, "measured_tier": "base", "name": "Coumarin", "phase1_scaffold_test_member": false, "poucher_tier": "mid" }, { "cas": "91771-61-8", "cause": "genuine-source-disagreement", "evidence": [ "Measured coefficient 18 maps to mid; auxiliary Poucher profile tier is base.", "Measured source names: Citronella, Java; tier row name: Citronella, Java.", "Both sides are keyed to the same CAS and no local name evidence points to a different material; treat as source/construct disagreement, not a measured-coefficient failure." ], "measured_coefficient": 18, "measured_tier": "mid", "name": "Citronella, Java", "phase1_scaffold_test_member": false, "poucher_tier": "base" }, { "cas": "94-48-4", "cause": "genuine-source-disagreement", "evidence": [ "Measured coefficient 4 maps to top; auxiliary Poucher profile tier is base.", "Measured source names: Geranyl benzoate; tier row name: Geranyl benzoate.", "Both sides are keyed to the same CAS and no local name evidence points to a different material; treat as source/construct disagreement, not a measured-coefficient failure." ], "measured_coefficient": 4, "measured_tier": "top", "name": "Geranyl benzoate", "phase1_scaffold_test_member": false, "poucher_tier": "base" }, { "cas": "94-59-7", "cause": "genuine-source-disagreement", "evidence": [ "Measured coefficient 3 maps to top; auxiliary Poucher profile tier is base.", "Measured source names: Sassafras; tier row name: Sassafras.", "Both sides are keyed to the same CAS and no local name evidence points to a different material; treat as source/construct disagreement, not a measured-coefficient failure." ], "measured_coefficient": 3, "measured_tier": "top", "name": "Sassafras", "phase1_scaffold_test_member": false, "poucher_tier": "base" }, { "cas": "98-86-2", "cause": "genuine-source-disagreement", "evidence": [ "Measured coefficient 1 maps to top; auxiliary Poucher profile tier is base.", "Measured source names: Acetophenone; tier row name: Acetophenone.", "Both sides are keyed to the same CAS and no local name evidence points to a different material; treat as source/construct disagreement, not a measured-coefficient failure." ], "measured_coefficient": 1, "measured_tier": "top", "name": "Acetophenone", "phase1_scaffold_test_member": false, "poucher_tier": "base" } ], "wild_cause_counts": { "form-mismatch": 2, "genuine-source-disagreement": 47, "join-error": 8 } }