Data dictionary
Every field in every published table, with its type, its definition and an example value. Types marked |null are genuinely nullable and the null means "not measured", never "zero".
39 fields
reports
The fact table. 6,722 rows, one per assay report.
| Field | Type | Definition | Example |
|---|---|---|---|
| report_id | string | Index-assigned identifier. Stable and never reused. | AX-2026-041873 |
| assay_date | date | Date the laboratory ran the assay. ISO 8601. | 2026-04-18 |
| submitted_date | date | Date the record entered the index. | 2026-05-02 |
| quarter | string | Index quarter of submission. | 2026-Q2 |
| compound_slug | string | Foreign key into compounds.csv. | semaglutide |
| compound | string | Compound display name. | Semaglutide |
| compound_class | string | Class the acceptance specification is drawn from. | incretin |
| supplier_key | string | Foreign key into suppliers.csv. | wuxitides |
| supplier | string | Supplier short code. | WXT |
| batch_slug | string | Foreign key into batches.csv. | wuxitides-wxt-2604-317 |
| lot | string | Lot code as printed on the vial, taken at face value. | WXT-2604-317 |
| lab_slug | string | Contributing laboratory. | janoshik-analytical |
| label_claim_mg | number | Declared mass on the label, milligrams. | 10 |
| purity_pct_area | number|null | Main-peak area as a percentage of total integrated area. Null where purity is not a defined quantity. | 98.61 |
| total_impurities_pct | number|null | Sum of reported impurity peaks. purity + this = 100.00 ± 0.02 by construction. | 1.39 |
| largest_impurity_pct | number|null | Largest single reported impurity. Always ≤ total_impurities_pct. | 0.62 |
| largest_impurity_name | string|null | Named species of the largest impurity peak. | des-AEEA semaglutide (−145 Da) |
| water_pct | number | Karl Fischer, coulometric, %w/w of cake. | 4.21 |
| counter_ion | string|null | Counter-ion species, null where none is expected. | TFA |
| counter_ion_pct | number | Counter-ion, %w/w of cake. | 6.08 |
| residual_pct | number | Residual solvent and inorganic residue, %w/w. Estimated on most records. | 0.44 |
| peptide_content_pct | number|null | Total peptide content by difference. Null where content was not ordered. | 89.27 |
| target_content_pct | number|null | peptide_content × purity ÷ 100. | 88.03 |
| gross_fill_mg | number|null | Cake mass as weighed. | 10.44 |
| recovered_mg | number|null | gross_fill × target_content ÷ 100. The mass of named compound in the vial. | 9.190 |
| pct_of_claim | number|null | recovered_mg ÷ label_claim × 100. | 91.9 |
| ppm_error | number|null | Mass accuracy against the theoretical monoisotopic mass. | -2.4 |
| observed_mono_da | number|null | Deconvoluted observed monoisotopic mass. | 4111.0425 |
| endotoxin_eu_mg | number|null | Kinetic chromogenic LAL. Null where not ordered. | 0.31 |
| sterility | string|null | USP <71> result where ordered. | No growth at 14 d |
| retention_min | number|null | Observed retention time on the laboratory's own gradient. | 18.44 |
| asymmetry | number | Peak asymmetry at 10 % height, Ph. Eur. 2.2.46. | 1.09 |
| plates | integer | Theoretical plate count for the main peak. | 64211 |
| sample_source | enum | buyer-sourced | supplier-supplied | lab-retained. | buyer-sourced |
| status | enum | verified | identity-consistent | purity-only | method-limited | partial | not-applicable. | verified |
| result | enum | PASS | FAIL | MARGINAL | N/A against the index acceptance specification. | PASS |
| spec_failures | string | Semicolon-separated list of specification parameters outside limit. | — |
| flags | string | Semicolon-separated anomaly rule IDs triggered. | AX-R09 |
| submitter | string | Contributor handle that submitted the record. | m/z_marta |
18 fields
batches
1,154 rows, one per physical lot.
| Field | Type | Definition | Example |
|---|---|---|---|
| batch_slug | string | Index-assigned key. Foreign key target for reports.batch_slug. | wuxitides-wxt-2604-317 |
| lot | string | Lot code as printed. | WXT-2604-317 |
| supplier_key | string | Foreign key into suppliers.csv. | wuxitides |
| compound_slug | string | Foreign key into compounds.csv. | semaglutide |
| quarter | string | Index quarter. | 2026-Q2 |
| mfg_date | date | Manufacture date as declared. | 2026-03-04 |
| label_claim_mg | number | Declared mass on the label. | 10 |
| reports | integer | Independent assay reports on this lot. | 4 |
| independent_median_pct | number|null | Median purity across independent assays. | 98.61 |
| spread_pp | number|null | Max minus min purity. Null below n=2. | 0.34 |
| sd_within_pp | number|null | Standard deviation across independent assays. Null below n=3. | 0.181 |
| coa_purity_pct | number|null | Purity as declared on the supplier certificate. | 98.9 |
| coa_divergence_pp | number|null | coa_purity − independent_median. Positive means the certificate reads high. | 0.29 |
| coa_method_stated | boolean | Whether the certificate names column, gradient and wavelength. | true |
| labs_used | string | Semicolon-separated laboratory slugs. | janoshik-analytical;medutest |
| provenance_gap_pp | number|null | Supplier-supplied median minus buyer-sourced median, same lot. | — |
| parent_batch | string|null | Shared-bulk parent, where the fingerprint matches another company's lot. | — |
| child_batches | string | Semicolon-separated shared-bulk children. | — |
22 fields
compounds
66 rows. Analytical properties are authored; distribution columns are computed.
| Field | Type | Definition | Example |
|---|---|---|---|
| compound_slug | string | Primary key. | semaglutide |
| name | string | Display name. | Semaglutide |
| class | string | Compound class, which the acceptance specification is drawn from. | incretin |
| formula | string|null | Molecular formula. | C187H291N45O59 |
| mono_mass_da | number|null | Theoretical monoisotopic mass. | 4111.0524 |
| avg_mass_da | number|null | Average molecular mass. | 4113.58 |
| residues | integer|null | Amino-acid residue count. | 31 |
| rt_rg2_min | number|null | Nominal retention time on the index reference method RG-2. | 18.42 |
| rt_window_min | number|null | Retention window for rule AX-R11. | 0.45 |
| difficulty | number | Index difficulty scale. Predicts distribution width. | 1.25 |
| counter_ion | string | Counter-ion as usually shipped. | TFA |
| spec_purity_pct | number | Index acceptance specification, purity. | 97 |
| spec_water_pct | number | Index acceptance specification, water. | 8 |
| spec_counter_ion_pct | number | Index acceptance specification, counter-ion. | 12 |
| spec_endotoxin_eu_mg | number | Index acceptance specification, endotoxin. | 5 |
| spec_ppm | number | Index acceptance specification, mass accuracy. | 15 |
| purity_definable | boolean | Whether a purity figure is a meaningful quantity for this substance. | true |
| reports | integer | Records in the index. | 412 |
| batches | integer | Batches in the index. | 76 |
| median_purity_pct | number|null | Observed median. Null below n=3. | 98.72 |
| iqr_pp | number|null | Observed interquartile range. Null below n=4. | 0.58 |
| named_impurities | integer | Named related substances in the compound fingerprint. | 8 |
24 fields
suppliers
20 rows. Identification fields are canonical business facts and are not derived.
| Field | Type | Definition | Example |
|---|---|---|---|
| supplier_key | string | Primary key. | wuxitides |
| short_code | string | Short code used across the index. | WXT |
| legal_name | string | Legal name. Canonical, not derived. | WuXi TIDES (WuXi AppTec Testing Division) |
| domain | string|null | Trading domain. Linked from the scorecard, marked nofollow and sponsored. | wuxitides.net |
| city | string | City. | Wuxi |
| region | string | Region. | Wuxi |
| country | string | ISO country code. | CN |
| established | string|null | Year established, where published. | 2002 |
| reports | integer | Records in the index. | 754 |
| batches | integer | Batches in the index. | 129 |
| compounds | integer | Distinct compounds covered. | 41 |
| median_purity_pct | number|null | Median purity. Null below n=3. | 98.92 |
| iqr_pp | number|null | Interquartile range. Null below n=4. | 0.51 |
| p10_purity_pct | number|null | Tenth percentile. Null below n=10. | 98.21 |
| buyer_sourced_median_pct | number|null | Median over independently purchased samples only. | 98.90 |
| supplier_supplied_share_pct | number | Share of records from supplier-provided samples. | 14.0 |
| median_recovery_pct | number|null | Median recovery against label claim. | 96.4 |
| median_water_pct | number | Median Karl Fischer water. | 3.10 |
| median_coa_divergence_pp | number|null | Median certificate minus measurement. | 0.21 |
| coa_divergence_in_favour_pct | number|null | Share of divergences running in the supplier's favour. | 58 |
| reproducibility_pp | number|null | Median within-batch spread over lots tested 3+ times. | 0.31 |
| reproducibility_n | integer | Lots the reproducibility figure was computed from. | 38 |
| documentation_score | integer | Certificate completeness, 0–100. Rubric on /suppliers/methodology/. | 94 |
| flagged_pct | number | Share of records triggering at least one anomaly rule. | 41.2 |