AssayImpuritiesResultReviewer

Assay & Impurities Result

Vet veterinary veterinary vaccines animal health adjuvants aquaculture batch release CSV→JSON

Utility description: Assay & Impurities Result

Assay & Impurities Result Reviewer — Review of Assay and Impurities Results

ℹ️ Utility checks results of chromatographic analysis (HPLC/GC) of active pharmaceutical ingredients and finished products for compliance with ICH Q3A (for APIs), ICH Q3B (for finished products) and specific pharmacopoeial monographs:
• Active Substance Content (Assay): Typically 98.0–102.0% for APIs.
• Single Impurity: Maximum amount of any known or unknown impurity.
• Total Impurities: Sum of all detected impurities.
• Unspecified Impurities: Impurities without a standard or limit in the monograph.

⚠️ CRITICAL:
• Exceeding the Identification Threshold requires mandatory structural identification of the impurity.
• Exceeding the Qualification Threshold requires additional toxicological studies before allowing the drug for clinical trials or registration.
• High total impurities may indicate product degradation or synthesis issues.

Usage:
AssayImpuritiesResultReviewer.exe → demo mode (console output)
AssayImpuritiesResultReviewer.exe input.csv output.json → evaluate your data

Input format:
BatchNumber,ProductName,Assay_Percent,SingleImpurity_Max_Percent,TotalImpurities_Percent,UnspecifiedImpurity_Max_Percent,PeaksAboveReportingThreshold,ReportingThreshold_Percent

Example:
API-001,Paracetamol,99.8,0.05,0.12,0.03,3,0.05

— WHY IS THIS NEEDED?
Impurity control is a key aspect of drug safety.
Impurities can be toxic, mutagenic, or reduce therapy efficacy.
ICH Q3A/B set strict thresholds depending on the daily dose of the drug.

⚠️ CRITICAL:
• Reporting Threshold: Level above which an impurity must be reported in the protocol (usually 0.05%).
• Identification Threshold: Level above which an impurity must be structurally identified.
• Qualification Threshold: Level above which an impurity requires toxicological evaluation.
• Specific Impurities: Some impurities (e.g., genotoxic) have much stricter limits (ppm level).

Key features:
• Automatic check of limits according to ICH Q3A/B
• Separate control of specified and unspecified impurities
• Assessment of overall purity profile
• Generation of reports for QC and RA departments, and LIMS LabWare
• Compliance with GMP and Pharmacopoeia requirements

Critical parameters:
• Assay: 98.0 – 102.0% (typical for APIs)
• Single Impurity: ≤ 0.10% (typical)
• Total Impurities: ≤ 0.50% (typical)
• Unspecified Impurity: ≤ 0.10%

💡 Usage tips:
1. CDS Integration: Data should come from chromatographic data systems (Empower, Chromeleon) after peak integration.
2. Baseline Correction: Ensure peak integration is performed correctly, especially for small impurities.
3. Standards: Use appropriate standards or response factors for quantitative determination of impurities.
4. Trends: Track growth of specific impurities from batch to batch for early detection of stability issues.
5. Genotoxicity: Pay special attention to impurities that may be genotoxic (ICH M7).

⚠️ Note: This utility serves as the first filter in analytical data review. It does not replace expert assessment by an analytical chemist but accelerates the process of identifying obvious deviations (OOS).

input.csv

BatchNumber,ProductName,Assay_Percent,SingleImpurity_Max_Percent,TotalImpurities_Percent,UnspecifiedImpurity_Max_Percent,PeaksAboveReportingThreshold,ReportingThreshold_Percent
API-2026-HPLC-001,Paracetamol API,99.8,0.05,0.12,0.03,3,0.05
API-2026-HPLC-002,Ibuprofen API,99.5,0.08,0.25,0.04,5,0.05
API-2026-FAIL-003,Amoxicillin Trihydrate,97.5,0.15,0.80,0.12,8,0.05

URS & FS — User Requirements and Functional Specification

This document describes the controlled interface and behaviour of AssayImpuritiesResultReviewer for Assay & Impurities Result Reviewer.

Domain limits URS input.csv FS IQ/OQ/PQ

Domain limits and critical parameters

Key fragments from the source description are shown below. Before production use, limits must be verified against the approved specification, registration dossier and local SOPs.

ℹ️ Utility checks results of chromatographic analysis (HPLC/GC) of active pharmaceutical ingredients and finished products for compliance with ICH Q3A (for APIs), ICH Q3B (for finished products) and specific pharmacopoeial monographs:
• Single Impurity: Maximum amount of any known or unknown impurity.
• Unspecified Impurities: Impurities without a standard or limit in the monograph.
⚠️ CRITICAL:
• Exceeding the Identification Threshold requires mandatory structural identification of the impurity.
BatchNumber,ProductName,Assay_Percent,SingleImpurity_Max_Percent,TotalImpurities_Percent,UnspecifiedImpurity_Max_Percent,PeaksAboveReportingThreshold,ReportingThreshold_Percent
Impurity control is a key aspect of drug safety.
ICH Q3A/B set strict thresholds depending on the daily dose of the drug.
• Reporting Threshold: Level above which an impurity must be reported in the protocol (usually 0.05%).
• Identification Threshold: Level above which an impurity must be structurally identified.
• Qualification Threshold: Level above which an impurity requires toxicological evaluation.
• Specific Impurities: Some impurities (e.g., genotoxic) have much stricter limits (ppm level).
• Automatic check of limits according to ICH Q3A/B
• Assessment of overall purity profile
• Compliance with GMP and Pharmacopoeia requirements
Critical parameters:
• Single Impurity: ≤ 0.10% (typical)
• Total Impurities: ≤ 0.50% (typical)

URS — User Requirements Specification

ID	Requirement	Criticality	Acceptance criterion
URS-001	The utility shall accept an input.csv file for Assay & Impurities Result Reviewer with headers defined in the data contract.	High	The file is processed without manual header editing.
URS-002	The utility shall perform deterministic QC evaluation without machine learning and without probabilistic conformance decisions.	High	Identical input data, rule version and configuration produce reproducible results.
URS-003	The utility shall validate mandatory fields, data types, ranges, units and domain plausibility.	High	Schema, conversion and range errors are explicitly reported.
URS-004	The utility shall apply domain limits and rules from the description, approved specification, registration dossier and local SOPs.	High	Each check has PASS/WARNING/FAIL and a clear message.
URS-005	The utility shall generate output.json with machine-readable results, source values, warnings, failures and critical findings.	High	JSON is suitable for LIMS/ELN/MES integration and QA/QC review.
URS-006	The utility shall preserve traceability between batch/sample, input file, applied rules and final status.	High	Output contains identifiers, checked parameters and audit metadata.
URS-007	The documentation shall support IQ/OQ/PQ, CSV/CSA and review by internal QA or inspectors.	Medium	URS, FS, input/output contract and test scenarios are supplied with the utility.
URS-008	The utility shall be used as a QC decision-support tool and not as a substitute for approved specifications and QA/QP release decision.	Medium	Documentation states change control and limit-verification expectations.

input.csv contract

#	Field	Type	Sample	Purpose
1	`BatchNumber`	string / controlled vocabulary	`API-2026-HPLC-001`	Batch or lot identifier used for traceability.
2	`ProductName`	string / controlled vocabulary	`Paracetamol API`	Product or dosage-form name under evaluation.
3	`Assay_Percent`	decimal	`99.8`	Controlled input parameter for deterministic QC rules.
4	`SingleImpurity_Max_Percent`	decimal	`0.05`	Purity or impurity profile; key QC parameter.
5	`TotalImpurities_Percent`	decimal	`0.12`	Controlled input parameter for deterministic QC rules.
6	`UnspecifiedImpurity_Max_Percent`	decimal	`0.03`	Purity or impurity profile; key QC parameter.
7	`PeaksAboveReportingThreshold`	decimal	`3`	Controlled input parameter for deterministic QC rules.
8	`ReportingThreshold_Percent`	decimal	`0.05`	Controlled input parameter for deterministic QC rules.

BatchNumber,ProductName,Assay_Percent,SingleImpurity_Max_Percent,TotalImpurities_Percent,UnspecifiedImpurity_Max_Percent,PeaksAboveReportingThreshold,ReportingThreshold_Percent
API-2026-HPLC-001,Paracetamol API,99.8,0.05,0.12,0.03,3,0.05
API-2026-HPLC-002,Ibuprofen API,99.5,0.08,0.25,0.04,5,0.05
API-2026-FAIL-003,Amoxicillin Trihydrate,97.5,0.15,0.80,0.12,8,0.05

Input validation rules

ID	Field	Rule	Criticality
VR-001	`BatchNumber`	The field shall match an approved dictionary or accepted string representation.	High
VR-002	`ProductName`	The field shall match an approved dictionary or accepted string representation.	High
VR-003	`Assay_Percent`	The field shall match an approved dictionary or accepted string representation.	High
VR-004	`SingleImpurity_Max_Percent`	The field shall match an approved dictionary or accepted string representation.	Medium
VR-005	`TotalImpurities_Percent`	The field shall match an approved dictionary or accepted string representation.	Medium
VR-006	`UnspecifiedImpurity_Max_Percent`	The field shall match an approved dictionary or accepted string representation.	Medium
VR-007	`PeaksAboveReportingThreshold`	The field shall match an approved dictionary or accepted string representation.	Medium
VR-008	`ReportingThreshold_Percent`	The field shall match an approved dictionary or accepted string representation.	Medium

FS — Functional Specification

ID	Function	Implementation
FS-001	CLI execution	Support execution modes: demo mode without arguments and production mode input.csv output.json.
FS-002	CSV import	Read input.csv in UTF-8/CSV-compatible format and validate header and expected columns.
FS-003	Schema validation	Check mandatory fields, column count, unknown key fields and empty mandatory values.
FS-004	Type conversion	Convert numeric, flag and text values; invalid format is recorded as a row-level error.
FS-005	Domain rule engine	Apply rules for Assay & Impurities Result Reviewer, including critical limits from the description and approved specification.
FS-006	Status aggregation	Produce final status: FAIL for critical failure, WARNING for non-critical deviation, PASS for conformance.
FS-007	JSON export	Write output.json with detailed checks, source values, warnings, failures and critical findings.
FS-008	Audit support	Keep result structure suitable for review, deviation investigation and calculation reproduction.
FS-009	Integration contract	Support the scenario LIMS/ELN/MES → input.csv → utility → output.json → portal/admin review.
FS-010	Error handling	Return explicit messages for missing file, empty CSV, invalid schema, output write failure and invalid format.

Example output.json

{
  "utilityId": "assayimpuritiesresultreviewer",
  "utilityFolder": "AssayImpuritiesResultReviewer",
  "package": "Vet",
  "overallStatus": "PASS|WARNING|FAIL",
  "sourceFile": "input.csv",
  "processedAtUtc": "2026-06-10T00:00:00Z",
  "checks": [
    {
      "parameter": "BatchNumber",
      "value": "API-2026-HPLC-001",
      "status": "PASS|WARNING|FAIL",
      "message": "Deterministic rule-based check result",
      "ruleReference": "FS-RULE-001"
    },
    {
      "parameter": "ProductName",
      "value": "Paracetamol API",
      "status": "PASS|WARNING|FAIL",
      "message": "Deterministic rule-based check result",
      "ruleReference": "FS-RULE-002"
    },
    {
      "parameter": "Assay_Percent",
      "value": "99.8",
      "status": "PASS|WARNING|FAIL",
      "message": "Deterministic rule-based check result",
      "ruleReference": "FS-RULE-003"
    },
    {
      "parameter": "SingleImpurity_Max_Percent",
      "value": "0.05",
      "status": "PASS|WARNING|FAIL",
      "message": "Deterministic rule-based check result",
      "ruleReference": "FS-RULE-004"
    },
    {
      "parameter": "TotalImpurities_Percent",
      "value": "0.12",
      "status": "PASS|WARNING|FAIL",
      "message": "Deterministic rule-based check result",
      "ruleReference": "FS-RULE-005"
    },
    {
      "parameter": "UnspecifiedImpurity_Max_Percent",
      "value": "0.03",
      "status": "PASS|WARNING|FAIL",
      "message": "Deterministic rule-based check result",
      "ruleReference": "FS-RULE-006"
    },
    {
      "parameter": "PeaksAboveReportingThreshold",
      "value": "3",
      "status": "PASS|WARNING|FAIL",
      "message": "Deterministic rule-based check result",
      "ruleReference": "FS-RULE-007"
    },
    {
      "parameter": "ReportingThreshold_Percent",
      "value": "0.05",
      "status": "PASS|WARNING|FAIL",
      "message": "Deterministic rule-based check result",
      "ruleReference": "FS-RULE-008"
    }
  ],
  "criticalFindings": [],
  "warnings": [],
  "audit": {
    "inputHash": "sha256:<calculated at runtime>",
    "rulesVersion": "<utility executable version>",
    "documentation": "AssayImpuritiesResultReviewer.documentation.html"
  }
}

Traceability matrix

URS	FS	Test	Evidence
URS-001	FS-001, FS-002	OQ-001	Verify execution and import of valid input.csv.
URS-002	FS-005, FS-006	OQ-004	Repeat the same dataset and compare output.json.
URS-003	FS-003, FS-004, FS-010	OQ-002, OQ-003	Verify missing columns and invalid types.
URS-004	FS-005, FS-006	OQ-004, PQ-001	Verify critical deviations on real/boundary data.
URS-005	FS-007, FS-009	OQ-005	Verify JSON schema and downstream-system suitability.
URS-006	FS-008	OQ-006	Verify identifiers and audit metadata.
URS-007	FS-008, FS-010	IQ-001, OQ-007	Verify documentation completeness and control evidence.
URS-008	FS-005, FS-008	PQ-002	Verify review workflow and no replacement of QA decision.

IQ/OQ/PQ test scenarios

ID	Scenario	Expected result
IQ-001	Verify executable, input.csv, documentation and checksum availability.	Delivery set is complete; version is recorded.
OQ-001	Valid sample row from input.csv.	PASS or acceptable WARNING according to rules.
OQ-002	Remove a mandatory CSV column.	Schema error or FAIL with missing-column reference.
OQ-003	Place a non-numeric value into a numeric field.	Type-conversion error with row/field reference.
OQ-004	Set a critical parameter outside the limit.	FAIL and critical finding.
OQ-005	Verify output.json structure.	All mandatory sections are present and JSON is valid.
OQ-006	Verify batch/sample traceability.	Input and result identifiers match.
PQ-001	Verify 3–5 real user batches/samples.	Result is confirmed by QC/QA review.
PQ-002	Verify deviation workflow and manual QA decision.	Utility supports review but does not replace approved decision.

QA/QC and change control

Do not rename columns without updating validator, documentation and test set.
Retain input.csv, output.json, executable version and checksum.
Before production use, perform IQ/OQ/PQ or equivalent CSV/CSA verification.
Critical limits shall be verified against the approved specification, registration dossier and local SOPs.
The utility provides structured QC decision support; final release decision remains with QA/QP and approved procedures.

Included in packages

Infectious Diseases QC Suite

QC utility package for infectious diseases: antibacterial, antiviral, antifungal and antiparasitic products, microbiology, sterility, endotoxins, viral safety and vaccine release checks.

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Vet — Veterinary QC Utilities

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