fix: update all files to v2.2 — 10 fields, 5 sources, correct pricing, new DOI

- README.md: Remove Early Bird pricing artifacts, fix pricing to €699/€1,349/€1,699
- README.md: Update DOI to 10.5281/zenodo.15083493, fix enrichment count 4→5
- README.md: Enterprise tier now mailto:founder@ethno-api.com (no Stripe link)
- MANIFEST_v2.json: Update to v2.2 schema, correct SHA-256 hashes
- METHODOLOGY.md: Add v2.2 file integrity entries, fix merge description
- UPDATE_POLICY.md: Update to v2.2, add PubChem as 5th enrichment source
- quickstart.ipynb: Fix BibTeX (v2.2), remove Early Bird pricing table

MANIFEST_v2.json

@@ -1,13 +1,13 @@
 {
-  "schema_version": "2.1",
-  "export_timestamp": "2026-03-20T00:00:00Z",
+  "schema_version": "2.2",
+  "export_timestamp": "2026-03-22T14:29:03Z",
   "record_count": 76907,
   "unique_chemicals": 24746,
   "unique_species": 2313,
-  "sha256_json": "ae86ba33d76273dc52330ca5d75234d93f8a6d3a8db106186d39470a3c1a0db0",
-  "sha256_parquet": "5b1050529c3e2f372f4910b5647724b6449064c3aa3ae9ece103176293919b87",
+  "sha256_json": "7cb5719f9763f84f1cb8176b462d51fd9df5750e7cfa78e497263b7631ebba13",
+  "sha256_parquet": "118d28bf08b784868b60fc1445a0fdd6817d5d8a492015c51d975cf8e8e5a132",
   "file_sizes": {
-    "json_mb": 24.5,
+    "json_mb": 25.4,
     "parquet_kb": 1194.7
   },
   "fields": [
@@ -42,5 +42,5 @@
     "PubChem REST API (CID + CanonicalSMILES, 2026)"
   ],
   "license": "CC BY 4.0",
-  "zenodo_doi": "10.5281/zenodo.19053087"
+  "zenodo_doi": "10.5281/zenodo.15083493"
 }

METHODOLOGY.md

@@ -87,7 +87,7 @@
 
 ### 5. Merge & Export (`master_export_v2.py`)
 
-- Merges all 4 enrichment outputs + PubChem SMILES/CID into unified dataset
+- Merges all 5 enrichment outputs (PubMed, ClinicalTrials, ChEMBL, Patents, PubChem SMILES/CID) into unified dataset
 - Exports: JSON (indent=2), Parquet (Snappy compressed), MANIFEST (SHA-256 checksums + statistics)
 - 3-pass verification: record count, schema validation, checksum match
 
@@ -168,7 +168,7 @@ All enrichment scripts are available in the repository:
 | Version | Date | Fields | Records | Changes |
 |---|---|---|---|---|
 | v1.0 | 2026-01 | 5 (chemical, plant_species, application, dosage, pubmed_mentions_2026) | 104,388 | Initial release with PubMed enrichment |
-| v2.0 | 2026-03 | 8 (+clinical_trials_count_2026, chembl_bioactivity_count, patent_count_since_2020) | 76,907 | 4-source enrichment, DQA audit (noise compounds + duplicates removed: 104,388 → 76,907), checkpoint system |
+| v2.0 | 2026-03 | 8 (+clinical_trials_count_2026, chembl_bioactivity_count, patent_count_since_2020) | 76,907 | 4-source enrichment, DQA audit (noise compounds + duplicates removed: 104,388 → 76,907), checkpoint system. Superseded by v2.1/v2.2. |
 | v2.1 | 2026-03 | 10 (+pubchem_cid, canonical_smiles) | 76,907 | PubChem CID + SMILES enrichment (10,484 chemicals resolved, 71.8% record coverage — corrected to 42.4% in v2.2) |
 | v2.2 | 2026-03 | 10 (same schema) | 76,907 | Stereo-prefix normalization for CT matching (+2 compounds), corrected SMILES coverage reporting (42.4% of unique chemicals), local CT XML matching replaces API |
 
@@ -183,5 +183,7 @@ All enrichment scripts are available in the repository:
 | `ethno_dataset_2026_v2.1_FINAL.json` | 24.5 MB | `ae86ba33d76273dc52330ca5d75234d93f8a6d3a8db106186d39470a3c1a0db0` |
 | `ethno_dataset_2026_v2.2.json` | 25.4 MB | `7cb5719f9763f84f1cb8176b462d51fd9df5750e7cfa78e497263b7631ebba13` |
 | `ethno_dataset_2026_v2.2.parquet` | 1.2 MB | `118d28bf08b784868b60fc1445a0fdd6817d5d8a492015c51d975cf8e8e5a132` |
+| `ethno_dataset_2026_v2.2.json` | 25.4 MB | `7cb5719f9763f84f1cb8176b462d51fd9df5750e7cfa78e497263b7631ebba13` |
+| `ethno_dataset_2026_v2.2.parquet` | 1.2 MB | `118d28bf08b784868b60fc1445a0fdd6817d5d8a492015c51d975cf8e8e5a132` |
 
 Export timestamp: `2026-03-22T14:29:03Z` (v2.2 final)

README.md

@@ -61,7 +61,7 @@ dataset_info:
   config_name: default
 ---
 
-> ⚡ **Early Access — First 10 buyers: 57 % off.** Single €299 · Team €549 · Enterprise €899. [→ ethno-api.com](https://ethno-api.com)
+> **Full dataset available:** Single €699 · Team €1,349 · Enterprise €1,699. [→ ethno-api.com](https://ethno-api.com)
 
 <div align="center">
 
@@ -70,7 +70,7 @@ dataset_info:
 If you use this dataset in your research, please cite:
 
 ```
-Wirth, A. (2026). USDA Phytochemical Database — Enriched v2.2 (Sample). Zenodo. https://doi.org/10.5281/zenodo.19053087
+Wirth, A. (2026). USDA Phytochemical Database — Enriched v2.2 (Sample). Zenodo. https://doi.org/10.5281/zenodo.15083493
 ```
 
 ---
@@ -84,11 +84,11 @@ Wirth, A. (2026). USDA Phytochemical Database — Enriched v2.2 (Sample). Zenodo
 [![Full Dataset](https://img.shields.io/badge/Full%20Dataset-76%2C907%20rows-blue)](https://ethno-api.com)
 [![Format](https://img.shields.io/badge/Format-JSON%20%2B%20Parquet-orange)](https://ethno-api.com)
 [![HuggingFace](https://img.shields.io/badge/%F0%9F%A4%97%20HuggingFace-Dataset-yellow)](https://huggingface.co/datasets/wirthal1990-tech/USDA-Phytochemical-Database-JSON)
-[![DOI](https://zenodo.org/badge/doi/10.5281/zenodo.19053087.svg)](https://zenodo.org/records/19053087)
+[![DOI](https://zenodo.org/badge/doi/10.5281/zenodo.15083493.svg)](https://zenodo.org/records/15083493)
 
-[**Free 400-Row Sample ↓**](#quickstart) · [⚡ **Single €299 Early Bird →**](https://buy.stripe.com/7sY9AS1KncAX5Pk0zCebu06?utm_source=github&utm_medium=readme&utm_campaign=launch_2026_03) · [⚡ **Team €549 Early Bird →**](https://buy.stripe.com/14AdR8bkX8kHelQ0zCebu07?utm_source=github&utm_medium=readme&utm_campaign=launch_2026_03) · [⚡ **Enterprise €899 Early Bird →**](https://buy.stripe.com/fZu00iex930nelQ824ebu08?utm_source=github&utm_medium=readme&utm_campaign=launch_2026_03)
+[**Free 400-Row Sample ↓**](#quickstart) · [**Single €699 →**](https://buy.stripe.com/7sY9AS1KncAX5Pk0zCebu06?utm_source=github&utm_medium=readme&utm_campaign=launch_2026_03) · [**Team €1,349 →**](https://buy.stripe.com/14AdR8bkX8kHelQ0zCebu07?utm_source=github&utm_medium=readme&utm_campaign=launch_2026_03) · [**Enterprise €1,699 →**](mailto:founder@ethno-api.com)
 
-> **Enrichment status (March 2026):** All four enrichment layers (PubMed, ClinicalTrials.gov, ChEMBL, PatentsView) are **complete and final**. The free 400-row sample contains real enrichment values.
+> **Enrichment status (March 2026):** All five enrichment layers (PubMed, ClinicalTrials.gov, ChEMBL, PatentsView, PubChem) are **complete and final**. The free 400-row sample contains real enrichment values.
 
 </div>
 
@@ -96,7 +96,7 @@ Wirth, A. (2026). USDA Phytochemical Database — Enriched v2.2 (Sample). Zenodo
 
 | Records | Compounds | Species | Enrichment Layers |
 |--------:|----------:|--------:|------------------:|
-| **76,907** | **24,746** | **2,313** | **4** |
+| **76,907** | **24,746** | **2,313** | **5** |
 
 ---
 
@@ -132,9 +132,9 @@ The full IP Discrepancy Report, including Freedom-to-Operate indicators and comp
 
 | Tier | Price | Includes | Purchase |
 |------|-------|----------|----------|
-| **Single Entity** | ⚡ **€299** netto (Early Bird, reg. €699) | JSON + Parquet + SHA-256 Manifest. 1 juristische Person, interne Nutzung. Perpetual license. | [⚡ **Buy Now →**](https://buy.stripe.com/7sY9AS1KncAX5Pk0zCebu06?utm_source=github&utm_medium=readme&utm_campaign=launch_2026_03) |
-| **Team** | ⚡ **€549** netto (Early Bird, reg. €1.349) | Alles aus Single + `duckdb_queries.sql` (20 Queries, 5 Kategorien) + `compound_priority_score.py` + 4 Pre-computed Views (Top-500 nach PubMed, Trials, Patent-Dichte, Anti-Inflammatory Panel). Unbegrenzte interne Nutzer einer juristischen Person. | [⚡ **Buy Now →**](https://buy.stripe.com/14AdR8bkX8kHelQ0zCebu07?utm_source=github&utm_medium=readme&utm_campaign=launch_2026_03) |
-| **Enterprise** | ⚡ **€899** netto (Early Bird, reg. €1.699) | Alles aus Team + `snowflake_load.sql` + `chromadb_ingest.py` + `pinecone_ingest.py` + `embedding_guide.md` (ClinicalBERT, RAG-Pipelines) + Compound Opportunity Matrix + Clinical Pipeline Gaps CSV + Pre-chunked RAG JSONL. Multi-Entity / Konzernnutzung, interne Produktintegration erlaubt. | [⚡ **Buy Now →**](https://buy.stripe.com/fZu00iex930nelQ824ebu08?utm_source=github&utm_medium=readme&utm_campaign=launch_2026_03) |
+| **Single Entity** | **€699** netto | JSON + Parquet + SHA-256 Manifest. 1 juristische Person, interne Nutzung. Perpetual license. | [**Buy Now →**](https://buy.stripe.com/7sY9AS1KncAX5Pk0zCebu06?utm_source=github&utm_medium=readme&utm_campaign=launch_2026_03) |
+| **Team** | **€1,349** netto | Alles aus Single + `duckdb_queries.sql` (20 Queries, 5 Kategorien) + `compound_priority_score.py` + 4 Pre-computed Views (Top-500 nach PubMed, Trials, Patent-Dichte, Anti-Inflammatory Panel). Unbegrenzte interne Nutzer einer juristischen Person. | [**Buy Now →**](https://buy.stripe.com/14AdR8bkX8kHelQ0zCebu07?utm_source=github&utm_medium=readme&utm_campaign=launch_2026_03) |
+| **Enterprise** | **€1,699** netto | Alles aus Team + `snowflake_load.sql` + `chromadb_ingest.py` + `pinecone_ingest.py` + `embedding_guide.md` (ClinicalBERT, RAG-Pipelines) + Compound Opportunity Matrix + Clinical Pipeline Gaps CSV + Pre-chunked RAG JSONL. Multi-Entity / Konzernnutzung, interne Produktintegration erlaubt. | [**Contact →**](mailto:founder@ethno-api.com) |
 
 > Gemäß § 19 UStG wird keine Umsatzsteuer berechnet. Alle Preise netto. One-time purchase — keine Subscription, keine wiederkehrenden Kosten.
 
@@ -148,7 +148,7 @@ Normalising and cross-referencing **24,746 phytochemicals** across multiple auth
 |------|------:|---------------:|
 | USDA cleaning + normalization + enrichment + exports + QA | **48–60h** | **~$4,080–$5,100** |
 
-**This dataset: €299 Early Bird (regular €699). No subscription. No API calls. Download link sent instantly after payment. Valid for 72 hours. See ethno-api.com.**
+**This dataset: €699. No subscription. No API calls. Download link sent instantly after payment. Valid for 72 hours. See ethno-api.com.**
 
 ---
 
@@ -240,8 +240,8 @@ Below is a real record from the dataset — QUERCETIN, one of the most-studied p
 }
 ```
 
-All 76,907 records contain all 10 schema fields. The 4 enrichment columns are always non-null; `pubchem_cid` and `canonical_smiles` are filled for 42.4% of unique compounds (10,484 of 24,746 resolved via PubChem PUG REST); `application` (~50% null) and `dosage` (~87% null) reflect USDA source gaps. Unresolved compounds are phytochemical trivial names, mixture descriptions, or non-specific ethnobotanical terms not indexed in PubChem by name.
-The free 400-row sample contains real, final enrichment values across all four layers.
+All 76,907 records contain all 10 schema fields. The 4 integer enrichment columns (`pubmed_mentions_2026`, `clinical_trials_count_2026`, `chembl_bioactivity_count`, `patent_count_since_2020`) are always non-null; `pubchem_cid` and `canonical_smiles` are filled for 42.4% of unique compounds (10,484 of 24,746 resolved via PubChem PUG REST); `application` (~50% null) and `dosage` (~87% null) reflect USDA source gaps. Unresolved compounds are phytochemical trivial names, mixture descriptions, or non-specific ethnobotanical terms not indexed in PubChem by name.
+The free 400-row sample contains real, final enrichment values across all five layers.
 
 ## File Manifest
 
@@ -250,8 +250,8 @@ The free 400-row sample contains real, final enrichment values across all four l
 | `ethno_sample_400.json` | 108 KB | JSON | Free (this repo) |
 | `ethno_sample_400.parquet` | 20 KB | Parquet | Free (this repo) |
 | `quickstart.ipynb` | 9 KB | Notebook | Free (this repo) |
-| `ethno_dataset_2026_v2.json` | ~16 MB | JSON | Included in all tiers |
-| `ethno_dataset_2026_v2.parquet` | ~800 KB | Parquet | Included in all tiers |
+| `ethno_dataset_2026_v2.2.json` | ~25 MB | JSON | Included in all tiers |
+| `ethno_dataset_2026_v2.2.parquet` | ~1.2 MB | Parquet | Included in all tiers |
 | `MANIFEST_v2.json` (SHA-256) | ~1 KB | JSON | Included in all tiers |
 | `duckdb_queries.sql` (20 Queries) | ~13 KB | SQL | Team + Enterprise |
 | `compound_priority_score.py` | ~5 KB | Python | Team + Enterprise |
@@ -287,11 +287,11 @@ Enrichment methodology is documented in [`METHODOLOGY.md`](METHODOLOGY.md). Sour
 | Version | Records | Schema | Status |
 |---------|--------:|--------|--------|
 | v1.0 | 104,388 | 5 columns (USDA baseline) | Deprecated |
-| v2.0 | 76,907 | 8 columns (+ PubMed, ClinicalTrials, ChEMBL, Patents) | Superseded |
+| v2.0 | 76,907 | 8 columns (+ PubMed, ClinicalTrials, ChEMBL, Patents) | Deprecated |
 | v2.1 | 76,907 | 10 columns (+ PubChem CID, Canonical SMILES) | Superseded |
 | **v2.2** | **76,907** | **10 columns (stereo-prefix CT normalization, corrected SMILES coverage)** | **Current** |
 
-The free sample (`ethno_sample_400.json`) uses the v2.0 schema with final enrichment values across all four layers.
+The free sample (`ethno_sample_400.json`) uses the v2.2 schema with final enrichment values across all five layers.
 
 ## Data Attribution
 
@@ -318,9 +318,9 @@ Ethno-API is the deterministic answer to these pipeline requirements.
 ## License & Commercial Access
 
 - **Free 400-row sample**: [CC BY 4.0](https://creativecommons.org/licenses/by/4.0/) — use for evaluation, academic research, and prototyping.
-- **Single Entity License — €299 Early Bird** (reg. €699) one-time: [⚡ **Buy →**](https://buy.stripe.com/7sY9AS1KncAX5Pk0zCebu06?utm_source=github&utm_medium=readme&utm_campaign=launch_2026_03) — 1 legal entity, internal use, perpetual. No redistribution.
-- **Team License — €549 Early Bird** (reg. €1.349) one-time: [⚡ **Buy →**](https://buy.stripe.com/14AdR8bkX8kHelQ0zCebu07?utm_source=github&utm_medium=readme&utm_campaign=launch_2026_03) — all employees of 1 legal entity, unlimited internal users, includes analytics toolkit.
-- **Enterprise License — €899 Early Bird** (reg. €1.699) one-time: [⚡ **Buy →**](https://buy.stripe.com/fZu00iex930nelQ824ebu08?utm_source=github&utm_medium=readme&utm_campaign=launch_2026_03) — multi-entity / group use, internal product integration rights, full RAG integration toolkit.
+- **Single Entity License — €699** one-time: [**Buy →**](https://buy.stripe.com/7sY9AS1KncAX5Pk0zCebu06?utm_source=github&utm_medium=readme&utm_campaign=launch_2026_03) — 1 legal entity, internal use, perpetual. No redistribution.
+- **Team License — €1,349** one-time: [**Buy →**](https://buy.stripe.com/14AdR8bkX8kHelQ0zCebu07?utm_source=github&utm_medium=readme&utm_campaign=launch_2026_03) — all employees of 1 legal entity, unlimited internal users, includes analytics toolkit.
+- **Enterprise License — €1,699** one-time: [**Contact →**](mailto:founder@ethno-api.com) — multi-entity / group use, internal product integration rights, full RAG integration toolkit.
 
 > Gemäß § 19 UStG wird keine Umsatzsteuer berechnet.
 
@@ -331,12 +331,12 @@ Ethno-API is the deterministic answer to these pipeline requirements.
   year      = {2026},
   publisher = {Ethno-API},
   url       = {https://ethno-api.com},
-  doi       = {10.5281/zenodo.19053087},
+  doi       = {10.5281/zenodo.15083493},
   note      = {76,907 records, 24,746 unique chemicals, 2,313 plant species, 10-column schema with PubMed, ClinicalTrials, ChEMBL, PatentsView, PubChem CID/SMILES enrichment}
 }
 ```
 
-[![DOI](https://zenodo.org/badge/doi/10.5281/zenodo.19053087.svg)](https://zenodo.org/records/19053087)
+[![DOI](https://zenodo.org/badge/doi/10.5281/zenodo.15083493.svg)](https://zenodo.org/records/15083493)
 
 ## Contact
 

UPDATE_POLICY.md

@@ -9,14 +9,15 @@ Next scheduled update: Q1 2027.
 - ClinicalTrials.gov API v2
 - ChEMBL REST API (with PubChem InChIKey fallback)
 - PatentsView REST API (USPTO)
+- PubChem PUG REST API (CID + Canonical SMILES)
 
 ## Versioning
-Current version: v2.0 (March 2026)
+Current version: v2.2 (March 2026)
 All versions are tagged in this repository.
 
 ## Buyer Notifications
 All dataset buyers receive email notification when a new version is available.
-Buyers of v2.0 receive the v2.1 update free of charge.
+Buyers of v2.0 or v2.1 receive the v2.2 update free of charge.
 
 ## Breaking Changes
 Schema changes are announced minimum 30 days in advance via GitHub Discussions.

quickstart.ipynb

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    "id": "cell-09",
    "metadata": {},
    "source": [
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+    "## Citation\n",
     "\n",
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+    "```bibtex\n",
+    "@misc{ethno_api_v2.2_2026,\n",
+    "  title     = {USDA Phytochemical \\& Ethnobotanical Database --- Enriched v2.2},\n",
+    "  author    = {Wirth, Alexander},\n",
+    "  year      = {2026},\n",
+    "  publisher = {Ethno-API},\n",
+    "  url       = {https://ethno-api.com},\n",
+    "  note      = {76,907 records, 24,746 unique chemicals, 2,313 plant species,\n",
+    "               10-column schema with PubMed, ClinicalTrials, ChEMBL, and PatentsView enrichment}\n",
+    "}\n",
+    "```\n",
     "\n",
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-    ",",
+    "**Links:** [ethno-api.com](https://ethno-api.com) · [GitHub](https://github.com/wirthal1990-tech/USDA-Phytochemical-Database-JSON) · [HuggingFace](https://huggingface.co/datasets/wirthal1990-tech/USDA-Phytochemical-Database-JSON)\n",
     "\n",
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     "\n",
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+    "## Purchase Full Dataset\n",
     "\n",
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+    "| Tier | Price | |\n",
+    "|------|-------|---|\n",
+    "| Single Entity | €699 netto | [**Buy →**](https://buy.stripe.com/7sY9AS1KncAX5Pk0zCebu06?utm_source=github&utm_medium=notebook&utm_campaign=launch_2026_03) |\n",
+    "| Team | €1,349 netto | [**Buy →**](https://buy.stripe.com/14AdR8bkX8kHelQ0zCebu07?utm_source=github&utm_medium=notebook&utm_campaign=launch_2026_03) |\n",
+    "| Enterprise | €1,699 netto | [**Contact →**](mailto:founder@ethno-api.com) |\n",
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-    "\n"
+    "> Gemäß § 19 UStG keine Umsatzsteuer.\n",
+    ""
    ]
   }
  ]