{ "agreement_count": 75, "agreement_rate": 0.5208333333333334, "agreement_total": 144, "boundary_margin_coeff_units": 5, "diagnostic": "D1_substantivity_integrity", "disagreement_count": 69, "disagreements": [ { "agrees": false, "boundary_classification": "wild", "boundary_crossed": null, "cas": "100-52-7", "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", "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", "distance_to_boundary_coeff_units": 0.0, "measured_coefficient": 60, "measured_tier": "mid", "name": "Benzyl phenylacetate", "poucher_tier": "base", "tier_step_distance": 1 }, { "agrees": false, "boundary_classification": "near-boundary", "boundary_crossed": "top_mid_14_15", "cas": "103-26-4", "distance_to_boundary_coeff_units": 2.0, "measured_coefficient": 12, "measured_tier": "top", "name": "Methyl cinnamate", "poucher_tier": "mid", "tier_step_distance": 1 }, { "agrees": false, "boundary_classification": "wild", "boundary_crossed": "top_mid_14_15", "cas": "103-45-7", "distance_to_boundary_coeff_units": 13.0, "measured_coefficient": 1, "measured_tier": "top", "name": "Phenylethyl acetate", "poucher_tier": "mid", "tier_step_distance": 1 }, { "agrees": false, "boundary_classification": "wild", "boundary_crossed": "mid_base_60_61", "cas": "103-48-0", "distance_to_boundary_coeff_units": 41.0, "measured_coefficient": 19, "measured_tier": "mid", "name": "Phenylethyl iso-butyrate", "poucher_tier": "base", "tier_step_distance": 1 }, { "agrees": false, "boundary_classification": "wild", "boundary_crossed": "mid_base_60_61", "cas": "103-61-7", "distance_to_boundary_coeff_units": 32.0, "measured_coefficient": 28, "measured_tier": "mid", "name": "Cinnamyl butyrate", "poucher_tier": "base", "tier_step_distance": 1 }, { "agrees": false, "boundary_classification": "wild", "boundary_crossed": "mid_base_60_61", "cas": "104-65-4", "distance_to_boundary_coeff_units": 42.0, "measured_coefficient": 18, "measured_tier": "mid", "name": "Cinnamyl formate", "poucher_tier": "base", "tier_step_distance": 1 }, { "agrees": false, "boundary_classification": "wild", "boundary_crossed": "mid_base_60_61", "cas": "105-13-5", "distance_to_boundary_coeff_units": 13.0, "measured_coefficient": 47, "measured_tier": "mid", "name": "Anisic alcohol", "poucher_tier": "base", "tier_step_distance": 1 }, { "agrees": false, "boundary_classification": "wild", "boundary_crossed": null, "cas": "105-85-1", "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", "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", "distance_to_boundary_coeff_units": 8.0, "measured_coefficient": 6, "measured_tier": "top", "name": "Geraniol ex palmarosa", "poucher_tier": "mid", "tier_step_distance": 1 }, { "agrees": false, "boundary_classification": "wild", "boundary_crossed": "top_mid_14_15", "cas": "106-25-2", "distance_to_boundary_coeff_units": 9.0, "measured_coefficient": 5, "measured_tier": "top", "name": "Nerol", "poucher_tier": "mid", "tier_step_distance": 1 }, { "agrees": false, "boundary_classification": "wild", "boundary_crossed": null, "cas": "106-29-6", "distance_to_boundary_coeff_units": null, "measured_coefficient": 9, "measured_tier": "top", "name": "Geranyl butyrate", "poucher_tier": "base", "tier_step_distance": 2 }, { "agrees": false, "boundary_classification": "wild", "boundary_crossed": "mid_base_60_61", "cas": "107-75-5", "distance_to_boundary_coeff_units": 19.0, "measured_coefficient": 80, "measured_tier": "base", "name": "Hydroxy citronellal", "poucher_tier": "mid", "tier_step_distance": 1 }, { "agrees": false, "boundary_classification": "wild", "boundary_crossed": "top_mid_14_15", "cas": "111-12-6", "distance_to_boundary_coeff_units": 6.0, "measured_coefficient": 8, "measured_tier": "top", "name": "Methyl heptine carbonate", "poucher_tier": "mid", "tier_step_distance": 1 }, { "agrees": false, "boundary_classification": "wild", "boundary_crossed": null, "cas": "112-14-1", "distance_to_boundary_coeff_units": null, "measured_coefficient": 1, "measured_tier": "top", "name": "Octyl acetate", "poucher_tier": "base", "tier_step_distance": 2 }, { "agrees": false, "boundary_classification": "wild", "boundary_crossed": null, "cas": "112-31-2", "distance_to_boundary_coeff_units": null, "measured_coefficient": 100, "measured_tier": "base", "name": "Decyl aldehyde", "poucher_tier": "top", "tier_step_distance": 2 }, { "agrees": false, "boundary_classification": "wild", "boundary_crossed": null, "cas": "118-58-1", "distance_to_boundary_coeff_units": null, "measured_coefficient": 8, "measured_tier": "top", "name": "Benzyl salicylate", "poucher_tier": "base", "tier_step_distance": 2 }, { "agrees": false, "boundary_classification": "wild", "boundary_crossed": "top_mid_14_15", "cas": "122-00-9", "distance_to_boundary_coeff_units": 11.0, "measured_coefficient": 3, "measured_tier": "top", "name": "Methyl acetophenone", "poucher_tier": "mid", "tier_step_distance": 1 }, { "agrees": false, "boundary_classification": "wild", "boundary_crossed": null, "cas": "122-63-4", "distance_to_boundary_coeff_units": null, "measured_coefficient": 10, "measured_tier": "top", "name": "Benzyl propionate", "poucher_tier": "base", "tier_step_distance": 2 }, { "agrees": false, "boundary_classification": "wild", "boundary_crossed": null, "cas": "124-19-6", "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", "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", "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", "distance_to_boundary_coeff_units": 13.0, "measured_coefficient": 1, "measured_tier": "top", "name": "Benzyl acetate", "poucher_tier": "mid", "tier_step_distance": 1 }, { "agrees": false, "boundary_classification": "wild", "boundary_crossed": null, "cas": "141-78-6", "distance_to_boundary_coeff_units": null, "measured_coefficient": 1, "measured_tier": "top", "name": "Ethyl acetate", "poucher_tier": "base", "tier_step_distance": 2 }, { "agrees": false, "boundary_classification": "wild", "boundary_crossed": null, "cas": "141-97-9", "distance_to_boundary_coeff_units": null, "measured_coefficient": 1, "measured_tier": "top", "name": "Ethyl acetoacetate", "poucher_tier": "base", "tier_step_distance": 2 }, { "agrees": false, "boundary_classification": "wild", "boundary_crossed": null, "cas": "144-39-8", "distance_to_boundary_coeff_units": null, "measured_coefficient": 5, "measured_tier": "top", "name": "Linalyl propionate", "poucher_tier": "base", "tier_step_distance": 2 }, { "agrees": false, "boundary_classification": "wild", "boundary_crossed": null, "cas": "150-84-5", "distance_to_boundary_coeff_units": null, "measured_coefficient": 8, "measured_tier": "top", "name": "Citronellyl acetate", "poucher_tier": "base", "tier_step_distance": 2 }, { "agrees": false, "boundary_classification": "wild", "boundary_crossed": "top_mid_14_15", "cas": "2050-08-0", "distance_to_boundary_coeff_units": 6.0, "measured_coefficient": 8, "measured_tier": "top", "name": "Amyl salicylate", "poucher_tier": "mid", "tier_step_distance": 1 }, { "agrees": false, "boundary_classification": "wild", "boundary_crossed": "top_mid_14_15", "cas": "60-12-8", "distance_to_boundary_coeff_units": 6.0, "measured_coefficient": 8, "measured_tier": "top", "name": "Phenylethyl alcohol", "poucher_tier": "mid", "tier_step_distance": 1 }, { "agrees": false, "boundary_classification": "wild", "boundary_crossed": null, "cas": "68127-65-1", "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", "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", "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", "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", "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", "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", "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", "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", "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", "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", "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", "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", "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", "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", "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", "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", "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", "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", "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", "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", "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", "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", "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", "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", "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", "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", "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", "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", "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", "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", "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", "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", "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", "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", "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", "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", "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", "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_affected": false, "phase1_eval_summary": { "best_structure_model": "structure_full_gbm", "best_structure_spearman_rho": 0.6633801733693918, "n_model_ready": 170, "split": { "n_test": 34, "n_train": 136, "scaffold_overlap": [], "seed": 20260710, "test_scaffolds": 34, "train_scaffolds": 49, "type": "scaffold-disjoint Murcko scaffold split" } }, "phase1_result_affected": false, "phase1_rho_recompute": "not_recomputed_no_measured_join_error_identified; diagnostics script does not import training/RDKit code", "phase1_split_screen": "local reproduction of train_substantivity.greedy_scaffold_split from saved enriched scaffold keys; avoids importing training/RDKit code in diagnostics", "phase1_test_wild_genuine_or_form_cas": [ "106-29-6", "112-14-1", "118-58-1", "141-78-6", "141-97-9", "8000-29-1", "8000-41-7", "8007-46-3", "8008-45-5", "8014-09-3", "8014-17-3" ], "rationale": "Wild disagreements are not mostly join-errors. Local evidence points primarily to genuine source/construct disagreement between measured duration coefficients and profile role tiers; measured coefficients remain the rigorous Phase 1 target because they do not depend on auxiliary tiers.", "tier_fold_verdict": "DO_NOT_FOLD_DISAGREEING_TIERS; only near-boundary-consistent rows or future join-corrected rows may be considered as poucher-tier provenance." }, "wild_case_causes": [ { "cas": "100-52-7", "cause": "genuine-source-disagreement", "evidence": [ "CAS is present on both sides; no local synonym evidence shows a different identity. Conflict is between measured duration coefficient and Poucher profile top/mid/base role tier." ], "measured_coefficient": 1, "measured_names": [ "Almonds", "Benzaldehyde" ], "measured_tier": "top", "name": "Almonds", "policy": "identity/form audit only; no odour character inferred", "poucher_tier": "base" }, { "cas": "101-84-8", "cause": "genuine-source-disagreement", "evidence": [ "CAS is present on both sides; no local synonym evidence shows a different identity. Conflict is between measured duration coefficient and Poucher profile top/mid/base role tier." ], "measured_coefficient": 10, "measured_names": [ "Diphenyl oxide" ], "measured_tier": "top", "name": "Diphenyl oxide", "policy": "identity/form audit only; no odour character inferred", "poucher_tier": "base" }, { "cas": "103-45-7", "cause": "join-error", "evidence": [ "Per-wild-case audit found local identity evidence for alias fragmentation, CAS conflation, or variant collision." ], "measured_coefficient": 1, "measured_names": [ "Phenylethyl acetate" ], "measured_tier": "top", "name": "Phenylethyl acetate", "policy": "identity/form audit only; no odour character inferred", "poucher_tier": "mid" }, { "cas": "103-48-0", "cause": "genuine-source-disagreement", "evidence": [ "CAS is present on both sides; no local synonym evidence shows a different identity. Conflict is between measured duration coefficient and Poucher profile top/mid/base role tier." ], "measured_coefficient": 19, "measured_names": [ "Phenylethyl iso-butyrate" ], "measured_tier": "mid", "name": "Phenylethyl iso-butyrate", "policy": "identity/form audit only; no odour character inferred", "poucher_tier": "base" }, { "cas": "103-61-7", "cause": "unresolved-needs-manual-review", "evidence": [ "Per-wild-case audit found insufficient local identity/source-name evidence for a stronger assignment." ], "measured_coefficient": 28, "measured_names": [ "Cinnamyl butyrate" ], "measured_tier": "mid", "name": "Cinnamyl butyrate", "policy": "identity/form audit only; no odour character inferred", "poucher_tier": "base" }, { "cas": "104-65-4", "cause": "genuine-source-disagreement", "evidence": [ "CAS is present on both sides; no local synonym evidence shows a different identity. Conflict is between measured duration coefficient and Poucher profile top/mid/base role tier." ], "measured_coefficient": 18, "measured_names": [ "Cinnamyl formate" ], "measured_tier": "mid", "name": "Cinnamyl formate", "policy": "identity/form audit only; no odour character inferred", "poucher_tier": "base" }, { "cas": "105-13-5", "cause": "genuine-source-disagreement", "evidence": [ "CAS is present on both sides; no local synonym evidence shows a different identity. Conflict is between measured duration coefficient and Poucher profile top/mid/base role tier." ], "measured_coefficient": 47, "measured_names": [ "Anisic alcohol" ], "measured_tier": "mid", "name": "Anisic alcohol", "policy": "identity/form audit only; no odour character inferred", "poucher_tier": "base" }, { "cas": "105-85-1", "cause": "genuine-source-disagreement", "evidence": [ "CAS is present on both sides; no local synonym evidence shows a different identity. Conflict is between measured duration coefficient and Poucher profile top/mid/base role tier." ], "measured_coefficient": 9, "measured_names": [ "Citronellyl formate" ], "measured_tier": "top", "name": "Citronellyl formate", "policy": "identity/form audit only; no odour character inferred", "poucher_tier": "base" }, { "cas": "106-22-9", "cause": "genuine-source-disagreement", "evidence": [ "CAS is present on both sides; no local synonym evidence shows a different identity. Conflict is between measured duration coefficient and Poucher profile top/mid/base role tier." ], "measured_coefficient": 4, "measured_names": [ "Citronellol" ], "measured_tier": "top", "name": "Citronellol", "policy": "identity/form audit only; no odour character inferred", "poucher_tier": "mid" }, { "cas": "106-24-1", "cause": "form-mismatch", "evidence": [ "Per-wild-case audit found source names comparing natural/geographic/material forms rather than one clean material form.", "measured extraction records a coefficient conflict, but the per-case audit classification above is retained." ], "measured_coefficient": 6, "measured_names": [ "Geraniol ex palmarosa", "Geraniol, Java" ], "measured_tier": "top", "name": "Geraniol ex palmarosa", "policy": "identity/form audit only; no odour character inferred", "poucher_tier": "mid" }, { "cas": "106-25-2", "cause": "join-error", "evidence": [ "Per-wild-case audit found local identity evidence for alias fragmentation, CAS conflation, or variant collision.", "measured extraction records a coefficient conflict, but the per-case audit classification above is retained." ], "measured_coefficient": 5, "measured_names": [ "Nerol", "Neroli bigarade", "Neroli, Italian" ], "measured_tier": "top", "name": "Nerol", "policy": "identity/form audit only; no odour character inferred", "poucher_tier": "mid" }, { "cas": "106-29-6", "cause": "genuine-source-disagreement", "evidence": [ "CAS is present on both sides; no local synonym evidence shows a different identity. Conflict is between measured duration coefficient and Poucher profile top/mid/base role tier." ], "measured_coefficient": 9, "measured_names": [ "Geranyl butyrate" ], "measured_tier": "top", "name": "Geranyl butyrate", "policy": "identity/form audit only; no odour character inferred", "poucher_tier": "base" }, { "cas": "107-75-5", "cause": "genuine-source-disagreement", "evidence": [ "CAS is present on both sides; no local synonym evidence shows a different identity. Conflict is between measured duration coefficient and Poucher profile top/mid/base role tier." ], "measured_coefficient": 80, "measured_names": [ "Hydroxy citronellal" ], "measured_tier": "base", "name": "Hydroxy citronellal", "policy": "identity/form audit only; no odour character inferred", "poucher_tier": "mid" }, { "cas": "111-12-6", "cause": "join-error", "evidence": [ "Per-wild-case audit found local identity evidence for alias fragmentation, CAS conflation, or variant collision.", "measured extraction records a coefficient conflict, but the per-case audit classification above is retained." ], "measured_coefficient": 8, "measured_names": [ "Methyl heptine carbonate", "Methyl octine carbonate" ], "measured_tier": "top", "name": "Methyl heptine carbonate", "policy": "identity/form audit only; no odour character inferred", "poucher_tier": "mid" }, { "cas": "112-14-1", "cause": "genuine-source-disagreement", "evidence": [ "CAS is present on both sides; no local synonym evidence shows a different identity. Conflict is between measured duration coefficient and Poucher profile top/mid/base role tier." ], "measured_coefficient": 1, "measured_names": [ "Octyl acetate" ], "measured_tier": "top", "name": "Octyl acetate", "policy": "identity/form audit only; no odour character inferred", "poucher_tier": "base" }, { "cas": "112-31-2", "cause": "unresolved-needs-manual-review", "evidence": [ "Per-wild-case audit found insufficient local identity/source-name evidence for a stronger assignment." ], "measured_coefficient": 100, "measured_names": [ "Decyl aldehyde" ], "measured_tier": "base", "name": "Decyl aldehyde", "policy": "identity/form audit only; no odour character inferred", "poucher_tier": "top" }, { "cas": "118-58-1", "cause": "genuine-source-disagreement", "evidence": [ "CAS is present on both sides; no local synonym evidence shows a different identity. Conflict is between measured duration coefficient and Poucher profile top/mid/base role tier." ], "measured_coefficient": 8, "measured_names": [ "Benzyl salicylate" ], "measured_tier": "top", "name": "Benzyl salicylate", "policy": "identity/form audit only; no odour character inferred", "poucher_tier": "base" }, { "cas": "122-00-9", "cause": "genuine-source-disagreement", "evidence": [ "CAS is present on both sides; no local synonym evidence shows a different identity. Conflict is between measured duration coefficient and Poucher profile top/mid/base role tier." ], "measured_coefficient": 3, "measured_names": [ "Methyl acetophenone" ], "measured_tier": "top", "name": "Methyl acetophenone", "policy": "identity/form audit only; no odour character inferred", "poucher_tier": "mid" }, { "cas": "122-63-4", "cause": "genuine-source-disagreement", "evidence": [ "CAS is present on both sides; no local synonym evidence shows a different identity. Conflict is between measured duration coefficient and Poucher profile top/mid/base role tier." ], "measured_coefficient": 10, "measured_names": [ "Benzyl propionate" ], "measured_tier": "top", "name": "Benzyl propionate", "policy": "identity/form audit only; no odour character inferred", "poucher_tier": "base" }, { "cas": "124-19-6", "cause": "genuine-source-disagreement", "evidence": [ "CAS is present on both sides; no local synonym evidence shows a different identity. Conflict is between measured duration coefficient and Poucher profile top/mid/base role tier." ], "measured_coefficient": 8, "measured_names": [ "Nonyl aldehyde" ], "measured_tier": "top", "name": "Nonyl aldehyde", "policy": "identity/form audit only; no odour character inferred", "poucher_tier": "base" }, { "cas": "126-64-7", "cause": "genuine-source-disagreement", "evidence": [ "CAS is present on both sides; no local synonym evidence shows a different identity. Conflict is between measured duration coefficient and Poucher profile top/mid/base role tier." ], "measured_coefficient": 9, "measured_names": [ "Linalyl benzoate" ], "measured_tier": "top", "name": "Linalyl benzoate", "policy": "identity/form audit only; no odour character inferred", "poucher_tier": "base" }, { "cas": "1335-46-2", "cause": "genuine-source-disagreement", "evidence": [ "CAS is present on both sides; no local synonym evidence shows a different identity. Conflict is between measured duration coefficient and Poucher profile top/mid/base role tier." ], "measured_coefficient": 14, "measured_names": [ "Methyl ionone" ], "measured_tier": "top", "name": "Methyl ionone", "policy": "identity/form audit only; no odour character inferred", "poucher_tier": "base" }, { "cas": "140-11-4", "cause": "genuine-source-disagreement", "evidence": [ "CAS is present on both sides; no local synonym evidence shows a different identity. Conflict is between measured duration coefficient and Poucher profile top/mid/base role tier." ], "measured_coefficient": 1, "measured_names": [ "Benzyl acetate" ], "measured_tier": "top", "name": "Benzyl acetate", "policy": "identity/form audit only; no odour character inferred", "poucher_tier": "mid" }, { "cas": "141-78-6", "cause": "unresolved-needs-manual-review", "evidence": [ "Per-wild-case audit found insufficient local identity/source-name evidence for a stronger assignment." ], "measured_coefficient": 1, "measured_names": [ "Ethyl acetate" ], "measured_tier": "top", "name": "Ethyl acetate", "policy": "identity/form audit only; no odour character inferred", "poucher_tier": "base" }, { "cas": "141-97-9", "cause": "genuine-source-disagreement", "evidence": [ "CAS is present on both sides; no local synonym evidence shows a different identity. Conflict is between measured duration coefficient and Poucher profile top/mid/base role tier." ], "measured_coefficient": 1, "measured_names": [ "Ethyl acetoacetate" ], "measured_tier": "top", "name": "Ethyl acetoacetate", "policy": "identity/form audit only; no odour character inferred", "poucher_tier": "base" }, { "cas": "144-39-8", "cause": "genuine-source-disagreement", "evidence": [ "CAS is present on both sides; no local synonym evidence shows a different identity. Conflict is between measured duration coefficient and Poucher profile top/mid/base role tier." ], "measured_coefficient": 5, "measured_names": [ "Linalyl propionate" ], "measured_tier": "top", "name": "Linalyl propionate", "policy": "identity/form audit only; no odour character inferred", "poucher_tier": "base" }, { "cas": "150-84-5", "cause": "genuine-source-disagreement", "evidence": [ "CAS is present on both sides; no local synonym evidence shows a different identity. Conflict is between measured duration coefficient and Poucher profile top/mid/base role tier." ], "measured_coefficient": 8, "measured_names": [ "Citronellyl acetate" ], "measured_tier": "top", "name": "Citronellyl acetate", "policy": "identity/form audit only; no odour character inferred", "poucher_tier": "base" }, { "cas": "2050-08-0", "cause": "genuine-source-disagreement", "evidence": [ "CAS is present on both sides; no local synonym evidence shows a different identity. Conflict is between measured duration coefficient and Poucher profile top/mid/base role tier." ], "measured_coefficient": 8, "measured_names": [ "Amyl salicylate" ], "measured_tier": "top", "name": "Amyl salicylate", "policy": "identity/form audit only; no odour character inferred", "poucher_tier": "mid" }, { "cas": "60-12-8", "cause": "join-error", "evidence": [ "Per-wild-case audit found local identity evidence for alias fragmentation, CAS conflation, or variant collision." ], "measured_coefficient": 8, "measured_names": [ "Phenylethyl alcohol" ], "measured_tier": "top", "name": "Phenylethyl alcohol", "policy": "identity/form audit only; no odour character inferred", "poucher_tier": "mid" }, { "cas": "68127-65-1", "cause": "join-error", "evidence": [ "Per-wild-case audit found local identity evidence for alias fragmentation, CAS conflation, or variant collision." ], "measured_coefficient": 5, "measured_names": [ "Rhodinol" ], "measured_tier": "top", "name": "Rhodinol", "policy": "identity/form audit only; no odour character inferred", "poucher_tier": "base" }, { "cas": "8000-27-9", "cause": "genuine-source-disagreement", "evidence": [ "Natural/complex wording is present, but the per-case audit did not find enough evidence to override source-level disagreement." ], "measured_coefficient": 8, "measured_names": [ "Cedarwood" ], "measured_tier": "top", "name": "Cedarwood", "policy": "identity/form audit only; no odour character inferred", "poucher_tier": "base" }, { "cas": "8000-28-0", "cause": "genuine-source-disagreement", "evidence": [ "Natural/complex wording is present, but the per-case audit did not find enough evidence to override source-level disagreement." ], "measured_coefficient": 8, "measured_names": [ "Lavender" ], "measured_tier": "top", "name": "Lavender", "policy": "identity/form audit only; no odour character inferred", "poucher_tier": "mid" }, { "cas": "8000-29-1", "cause": "genuine-source-disagreement", "evidence": [ "Natural/complex wording is present, but the per-case audit did not find enough evidence to override source-level disagreement." ], "measured_coefficient": 8, "measured_names": [ "Citronella, Ceylon" ], "measured_tier": "top", "name": "Citronella, Ceylon", "policy": "identity/form audit only; no odour character inferred", "poucher_tier": "mid" }, { "cas": "8000-41-7", "cause": "genuine-source-disagreement", "evidence": [ "CAS is present on both sides; no local synonym evidence shows a different identity. Conflict is between measured duration coefficient and Poucher profile top/mid/base role tier." ], "measured_coefficient": 3, "measured_names": [ "Terpineol" ], "measured_tier": "top", "name": "Terpineol", "policy": "identity/form audit only; no odour character inferred", "poucher_tier": "mid" }, { "cas": "8000-48-4", "cause": "genuine-source-disagreement", "evidence": [ "Natural/complex wording is present, but the per-case audit did not find enough evidence to override source-level disagreement.", "measured extraction records a coefficient conflict, but the per-case audit classification above is retained." ], "measured_coefficient": 15, "measured_names": [ "Eucalyptus", "Eucalyptus citriodora" ], "measured_tier": "mid", "name": "Eucalyptus", "policy": "identity/form audit only; no odour character inferred", "poucher_tier": "base" }, { "cas": "8006-78-8", "cause": "genuine-source-disagreement", "evidence": [ "Natural/complex wording is present, but the per-case audit did not find enough evidence to override source-level disagreement." ], "measured_coefficient": 6, "measured_names": [ "Bay" ], "measured_tier": "top", "name": "Bay", "policy": "identity/form audit only; no odour character inferred", "poucher_tier": "base" }, { "cas": "8006-84-6", "cause": "genuine-source-disagreement", "evidence": [ "Natural/complex wording is present, but the per-case audit did not find enough evidence to override source-level disagreement." ], "measured_coefficient": 14, "measured_names": [ "Fennel" ], "measured_tier": "top", "name": "Fennel", "policy": "identity/form audit only; no odour character inferred", "poucher_tier": "base" }, { "cas": "8007-35-0", "cause": "genuine-source-disagreement", "evidence": [ "CAS is present on both sides; no local synonym evidence shows a different identity. Conflict is between measured duration coefficient and Poucher profile top/mid/base role tier." ], "measured_coefficient": 5, "measured_names": [ "Terpinyl acetate" ], "measured_tier": "top", "name": "Terpinyl acetate", "policy": "identity/form audit only; no odour character inferred", "poucher_tier": "mid" }, { "cas": "8007-46-3", "cause": "form-mismatch", "evidence": [ "Per-wild-case audit found source names comparing natural/geographic/material forms rather than one clean material form.", "measured extraction records a coefficient conflict, but the per-case audit classification above is retained." ], "measured_coefficient": 6, "measured_names": [ "Thyme red", "Thyme white" ], "measured_tier": "top", "name": "Thyme white", "policy": "identity/form audit only; no odour character inferred", "poucher_tier": "mid" }, { "cas": "8007-75-8", "cause": "genuine-source-disagreement", "evidence": [ "Natural/complex wording is present, but the per-case audit did not find enough evidence to override source-level disagreement." ], "measured_coefficient": 6, "measured_names": [ "Bergamot" ], "measured_tier": "top", "name": "Bergamot", "policy": "identity/form audit only; no odour character inferred", "poucher_tier": "mid" }, { "cas": "8008-45-5", "cause": "genuine-source-disagreement", "evidence": [ "Natural/complex wording is present, but the per-case audit did not find enough evidence to override source-level disagreement." ], "measured_coefficient": 14, "measured_names": [ "Nutmeg" ], "measured_tier": "top", "name": "Nutmeg", "policy": "identity/form audit only; no odour character inferred", "poucher_tier": "base" }, { "cas": "8008-56-8", "cause": "genuine-source-disagreement", "evidence": [ "Natural/complex wording is present, but the per-case audit did not find enough evidence to override source-level disagreement." ], "measured_coefficient": 5, "measured_names": [ "Lemon" ], "measured_tier": "top", "name": "Lemon", "policy": "identity/form audit only; no odour character inferred", "poucher_tier": "mid" }, { "cas": "8014-09-3", "cause": "genuine-source-disagreement", "evidence": [ "Natural/complex wording is present, but the per-case audit did not find enough evidence to override source-level disagreement." ], "measured_coefficient": 100, "measured_names": [ "Patchouli" ], "measured_tier": "base", "name": "Patchouli", "policy": "identity/form audit only; no odour character inferred", "poucher_tier": "mid" }, { "cas": "8014-17-3", "cause": "form-mismatch", "evidence": [ "Per-wild-case audit found source names comparing natural/geographic/material forms rather than one clean material form.", "measured extraction records a coefficient conflict, but the per-case audit classification above is retained." ], "measured_coefficient": 8, "measured_names": [ "Petitgrain para", "Petitgrain, French" ], "measured_tier": "top", "name": "Petitgrain, French", "policy": "identity/form audit only; no odour character inferred", "poucher_tier": "mid" }, { "cas": "8014-19-5", "cause": "genuine-source-disagreement", "evidence": [ "Natural/complex wording is present, but the per-case audit did not find enough evidence to override source-level disagreement." ], "measured_coefficient": 14, "measured_names": [ "Palmarosa" ], "measured_tier": "top", "name": "Palmarosa", "policy": "identity/form audit only; no odour character inferred", "poucher_tier": "base" }, { "cas": "8015-73-4", "cause": "genuine-source-disagreement", "evidence": [ "CAS is present on both sides; no local synonym evidence shows a different identity. Conflict is between measured duration coefficient and Poucher profile top/mid/base role tier." ], "measured_coefficient": 14, "measured_names": [ "Basilic" ], "measured_tier": "top", "name": "Basilic", "policy": "identity/form audit only; no odour character inferred", "poucher_tier": "base" }, { "cas": "8016-96-4", "cause": "genuine-source-disagreement", "evidence": [ "Natural/complex wording is present, but the per-case audit did not find enough evidence to override source-level disagreement." ], "measured_coefficient": 100, "measured_names": [ "Vetivert" ], "measured_tier": "base", "name": "Vetivert", "policy": "identity/form audit only; no odour character inferred", "poucher_tier": "mid" }, { "cas": "8021-15-0", "cause": "form-mismatch", "evidence": [ "Per-wild-case audit found source names comparing natural/geographic/material forms rather than one clean material form.", "measured extraction records a coefficient conflict, but the per-case audit classification above is retained." ], "measured_coefficient": 52, "measured_names": [ "Opoponax oil", "Opoponax resin" ], "measured_tier": "mid", "name": "Opoponax oil", "policy": "identity/form audit only; no odour character inferred", "poucher_tier": "base" }, { "cas": "8022-62-6", "cause": "genuine-source-disagreement", "evidence": [ "Natural/complex wording is present, but the per-case audit did not find enough evidence to override source-level disagreement." ], "measured_coefficient": 14, "measured_names": [ "Reseda absolute" ], "measured_tier": "top", "name": "Reseda absolute", "policy": "identity/form audit only; no odour character inferred", "poucher_tier": "base" }, { "cas": "8023-87-6", "cause": "genuine-source-disagreement", "evidence": [ "Natural/complex wording is present, but the per-case audit did not find enough evidence to override source-level disagreement." ], "measured_coefficient": 14, "measured_names": [ "Mimosa absolute" ], "measured_tier": "top", "name": "Mimosa absolute", "policy": "identity/form audit only; no odour character inferred", "poucher_tier": "base" }, { "cas": "8023-91-4", "cause": "form-mismatch", "evidence": [ "Per-wild-case audit found source names comparing natural/geographic/material forms rather than one clean material form.", "measured extraction records a coefficient conflict, but the per-case audit classification above is retained." ], "measured_coefficient": 52, "measured_names": [ "Galbanum oil", "Galbanum resin" ], "measured_tier": "mid", "name": "Galbanum resin", "policy": "identity/form audit only; no odour character inferred", "poucher_tier": "base" }, { "cas": "9000-50-6", "cause": "genuine-source-disagreement", "evidence": [ "Natural/complex wording is present, but the per-case audit did not find enough evidence to override source-level disagreement." ], "measured_coefficient": 100, "measured_names": [ "Oakmoss" ], "measured_tier": "base", "name": "Oakmoss", "policy": "identity/form audit only; no odour character inferred", "poucher_tier": "mid" }, { "cas": "91-64-5", "cause": "genuine-source-disagreement", "evidence": [ "CAS is present on both sides; no local synonym evidence shows a different identity. Conflict is between measured duration coefficient and Poucher profile top/mid/base role tier." ], "measured_coefficient": 100, "measured_names": [ "Coumarin" ], "measured_tier": "base", "name": "Coumarin", "policy": "identity/form audit only; no odour character inferred", "poucher_tier": "mid" }, { "cas": "91771-61-8", "cause": "form-mismatch", "evidence": [ "Per-wild-case audit found source names comparing natural/geographic/material forms rather than one clean material form." ], "measured_coefficient": 18, "measured_names": [ "Citronella, Java" ], "measured_tier": "mid", "name": "Citronella, Java", "policy": "identity/form audit only; no odour character inferred", "poucher_tier": "base" }, { "cas": "94-48-4", "cause": "genuine-source-disagreement", "evidence": [ "CAS is present on both sides; no local synonym evidence shows a different identity. Conflict is between measured duration coefficient and Poucher profile top/mid/base role tier." ], "measured_coefficient": 4, "measured_names": [ "Geranyl benzoate" ], "measured_tier": "top", "name": "Geranyl benzoate", "policy": "identity/form audit only; no odour character inferred", "poucher_tier": "base" }, { "cas": "94-59-7", "cause": "genuine-source-disagreement", "evidence": [ "Natural/complex wording is present, but the per-case audit did not find enough evidence to override source-level disagreement." ], "measured_coefficient": 3, "measured_names": [ "Sassafras" ], "measured_tier": "top", "name": "Sassafras", "policy": "identity/form audit only; no odour character inferred", "poucher_tier": "base" }, { "cas": "98-86-2", "cause": "genuine-source-disagreement", "evidence": [ "CAS is present on both sides; no local synonym evidence shows a different identity. Conflict is between measured duration coefficient and Poucher profile top/mid/base role tier." ], "measured_coefficient": 1, "measured_names": [ "Acetophenone" ], "measured_tier": "top", "name": "Acetophenone", "policy": "identity/form audit only; no odour character inferred", "poucher_tier": "base" } ], "wild_cause_counts": { "form-mismatch": 6, "genuine-source-disagreement": 43, "join-error": 5, "unresolved-needs-manual-review": 3 } }