PhytomenadioneQualityChecker
Phytomenadione
Phytomenadione Quality Checker — Vitamin K1 (Ph. Eur. 2.8.1)
ℹ️ The utility checks assay, specific rotation, UV ratio, impurities (epoxide), peroxide value.
ℹ️ Does not use machine learning — rule-based logic only.
⚠️ Critical for vitamin K preparations, dietary supplements, parenteral nutrition, pediatric formulations.
Usage:
PhytomenadioneQualityChecker.exe → demo mode (console output)
PhytomenadioneQualityChecker.exe input.csv output.json → evaluate your data
Input format:
BatchNumber,AssayPercent,SpecificRotation,UV249_325,ImpurityA,OtherImpurities,TotalImpurities,PeroxideValue,HeavyMetals,LossOnDrying,pH,ClarityNTU,ColorAPHA,EthanolPPM,AcetonePPM
Example:
VK1-2026-001,99.5,20.0,1.3,0.3,0.2,0.5,3.0,5,0.3,6.0,2,30,800,500
— WHY IS THIS NEEDED?
Phytomenadione (vitamin K1) is a fat-soluble vitamin critical for:
• Synthesis of blood coagulation factors (II, VII, IX, X) in the liver
• Prevention and treatment of hemorrhagic diseases (especially in newborns)
• Antidote for warfarin overdose
• Dietary supplements for coagulation support
• Parenteral nutrition (especially for preterm infants)
⚠️ Extremely sensitive to light, oxygen, and oxidation! Peroxide value and epoxide impurity are critical stability parameters.
Critical parameters:
• Assay 97.0–103.0% (on dried basis)
• Specific rotation +18° to +22° (in chloroform — key identification parameter)
• UV ratio A249/A325: 1.2–1.4 (for purity and identity confirmation)
• Impurity A (phytomenadione epoxide) ≤0.5% (oxidation product — critical for activity!)
• Total impurities ≤1.0%
• Peroxide value ≤5.0 (oxidation indicator — critical for stability!)
• Loss on drying ≤0.5%
• Heavy metals ≤10 ppm
• pH 5.0–7.0 (for solutions)
• Clarity ≤5 NTU, color ≤50 APHA
Monograph compliance is mandatory for registration. Requires protection from light, oxygen, and moisture during storage!
input.csv
BatchNumber,AssayPercent,SpecificRotation,UV249_325,ImpurityA,OtherImpurities,TotalImpurities,PeroxideValue,HeavyMetals,LossOnDrying,pH,ClarityNTU,ColorAPHA,EthanolPPM,AcetonePPM VK1-2026-001,99.5,20.0,1.3,0.3,0.2,0.5,3.0,5,0.3,6.0,2,30,800,500
URS & FS — user requirements and functional specification
This document defines user requirements and functional specification for the quality-control utility. It supports deployment discussion, IQ/OQ preparation and QC workflow integration.
1. Scope
The Phytomenadione Quality Checker utility is used for Phytomenadione. The actual input.csv is the source of truth for the input structure; control criteria are defined by the executable and the domain description.
The utility does not use machine learning; decisions are produced by deterministic rules.
Categories: Vitamins and minerals
Tags: assay, heavy metals, impurities, medical gases, minerals, premix, specification, vitamins
2. Execution modes
PhytomenadioneQualityChecker.exe → demo mode (console output) PhytomenadioneQualityChecker.exe input.csv output.json → evaluate your data
3. Key controlled areas
- assay / content
- purity and impurities
- residual solvents
- heavy metals / elemental impurities
- pH and physicochemical parameters
4. Domain limits and critical parameters
- ⚠️ Critical for vitamin K preparations, dietary supplements, parenteral nutrition, pediatric formulations.
- ⚠️ Extremely sensitive to light, oxygen, and oxidation! Peroxide value and epoxide impurity are critical stability parameters.
- Critical parameters:
- Assay 97.0–103.0% (on dried basis)
- Specific rotation +18° to +22° (in chloroform — key identification parameter)
- UV ratio A249/A325: 1.2–1.4 (for purity and identity confirmation)
- Impurity A (phytomenadione epoxide) ≤0.5% (oxidation product — critical for activity!)
- Total impurities ≤1.0%
- Peroxide value ≤5.0 (oxidation indicator — critical for stability!)
- Loss on drying ≤0.5%
- Heavy metals ≤10 ppm
- pH 5.0–7.0 (for solutions)
- Clarity ≤5 NTU, color ≤50 APHA
5. URS — user requirements
| ID | Requirement | Criticality | Acceptance criterion |
|---|---|---|---|
| URS-001 | The system shall accept an input.csv file for Phytomenadione with the exact columns listed in the “Input data contract” section. | High | A file with the correct header is processed without manual editing; missing mandatory columns produce FAIL/import error. |
| URS-002 | The system shall support execution without arguments in demo mode and execution with input.csv output.json for user data. | Medium | Both execution scenarios produce a predictable result or clear diagnostic error. |
| URS-003 | The system shall perform rule-based controls for: assay / content, purity and impurities, residual solvents, heavy metals / elemental impurities, pH and physicochemical parameters. | High | Each controlled parameter receives a status and message; the result does not depend on hidden Excel formulas or ML. |
| URS-004 | The system shall preserve traceability between batch/lot, source values, applied rules and final verdict. | High | Output includes batch identifier, source values, parameter statuses and critical findings. |
| URS-005 | The system shall generate machine-readable output.json for LIMS/ELN/MES, batch record and QA/QC review. | High | JSON contains overall status, check array, warnings, failures and source-file reference. |
| URS-006 | The system shall support use in the client validation package: URS/FS, IQ/OQ preparation, installation and operational scenario checks. | High | The document, test scenarios and reproducible CSV/JSON flow are suitable for audit and internal approval. |
| URS-007 | The system shall clearly separate technical data errors from specification nonconformities. | Medium | Schema/type errors are not mixed with pharmacopoeial deviations and are reported separately. |
6. input.csv data contract
The source of truth for the input schema is the actual input.csv header. Column names are technical identifiers and are not translated.
| # | Column | Type | Unit | Description | Sample | Control rule |
|---|---|---|---|---|---|---|
| 1 | BatchNumber | identifier | as specified | Batch Number | VK1-2026-001 | mandatory field; used for batch/lot traceability |
| 2 | AssayPercent | decimal | % | Assay % | 99.5 | numeric value; compared with assay/purity limit from specification or method |
| 3 | SpecificRotation | decimal | as specified | Specific Rotation | 20.0 | mandatory numeric value; rule comparison is performed by the utility |
| 4 | UV249_325 | decimal | as specified | UV249 325 | 1.3 | mandatory numeric value; rule comparison is performed by the utility |
| 5 | ImpurityA | decimal | as specified | Impurity A | 0.3 | numeric value; compared with individual or total impurity limit |
| 6 | OtherImpurities | decimal | as specified | Other Impurities | 0.2 | mandatory numeric value; rule comparison is performed by the utility |
| 7 | TotalImpurities | decimal | as specified | Total Impurities | 0.5 | mandatory numeric value; rule comparison is performed by the utility |
| 8 | PeroxideValue | decimal | as specified | Peroxide Value | 3.0 | mandatory numeric value; rule comparison is performed by the utility |
| 9 | HeavyMetals | decimal | as specified | Heavy Metals | 5 | numeric value; checked as elemental/metal impurity |
| 10 | LossOnDrying | decimal | as specified | Loss On Drying | 0.3 | mandatory numeric value; rule comparison is performed by the utility |
| 11 | pH | decimal | pH | p H | 6.0 | mandatory numeric value; rule comparison is performed by the utility |
| 12 | ClarityNTU | decimal | as specified | Clarity NTU | 2 | mandatory numeric value; rule comparison is performed by the utility |
| 13 | ColorAPHA | decimal | as specified | Color APHA | 30 | mandatory numeric value; rule comparison is performed by the utility |
| 14 | EthanolPPM | decimal | ppm | Ethanol PPM | 800 | numeric value; checked as residual solvent against the applicable limit |
| 15 | AcetonePPM | decimal | ppm | Acetone PPM | 500 | numeric value; checked as residual solvent against the applicable limit |
CSV example
BatchNumber,AssayPercent,SpecificRotation,UV249_325,ImpurityA,OtherImpurities,TotalImpurities,PeroxideValue,HeavyMetals,LossOnDrying,pH,ClarityNTU,ColorAPHA,EthanolPPM,AcetonePPM VK1-2026-001,99.5,20.0,1.3,0.3,0.2,0.5,3.0,5,0.3,6.0,2,30,800,500
7. FS — functional specification
| ID | Function | Implementation description |
|---|---|---|
| FS-001 | CLI entry point | The executable PhytomenadioneQualityChecker.exe supports demo mode and input.csv output.json processing mode. |
| FS-002 | CSV parser | The import module reads CSV, validates header, column presence/order, value count and encoding. Decimal values are expected with a dot separator. |
| FS-003 | Field conversion | Each column is converted to the expected type: identifier, text, decimal number, date/time or boolean flag. |
| FS-004 | Domain rule engine | For Phytomenadione, explicit rules are applied: range, minimum, maximum, absence of prohibited flag, data completeness or calculation-based check. |
| FS-005 | Criticality handling | Critical violations produce FAIL; non-critical deviations and incomplete data produce WARNING; full conformance produces PASS. |
| FS-006 | JSON writer | output.json stores overall status, per-parameter results, source values, warnings, failures and diagnostic messages. |
| FS-007 | Integration contract | The CSV → JSON format is stable for invocation from LIMS/ELN/MES, scheduled task or wrapper service. |
| FS-008 | Error handling | Schema error, missing file, non-numeric value or JSON write failure returns diagnosable error without silent PASS. |
8. output.json contract
The output file must be suitable for automated processing, audit review and correlation with the source input.csv row.
{
"utility": "PhytomenadioneQualityChecker",
"api": "Phytomenadione",
"batchNumber": "VK1-2026-001",
"overallStatus": "PASS|WARNING|FAIL",
"checkedAtUtc": "2026-05-18T00:00:00Z",
"checks": [
{
"parameter": "BatchNumber",
"value": "VK1-2026-001",
"unit": "as specified",
"status": "PASS|WARNING|FAIL",
"message": "Rule-based check result"
},
{
"parameter": "AssayPercent",
"value": "99.5",
"unit": "%",
"status": "PASS|WARNING|FAIL",
"message": "Rule-based check result"
},
{
"parameter": "SpecificRotation",
"value": "20.0",
"unit": "as specified",
"status": "PASS|WARNING|FAIL",
"message": "Rule-based check result"
},
{
"parameter": "UV249_325",
"value": "1.3",
"unit": "as specified",
"status": "PASS|WARNING|FAIL",
"message": "Rule-based check result"
},
{
"parameter": "ImpurityA",
"value": "0.3",
"unit": "as specified",
"status": "PASS|WARNING|FAIL",
"message": "Rule-based check result"
},
{
"parameter": "OtherImpurities",
"value": "0.2",
"unit": "as specified",
"status": "PASS|WARNING|FAIL",
"message": "Rule-based check result"
},
{
"parameter": "TotalImpurities",
"value": "0.5",
"unit": "as specified",
"status": "PASS|WARNING|FAIL",
"message": "Rule-based check result"
},
{
"parameter": "PeroxideValue",
"value": "3.0",
"unit": "as specified",
"status": "PASS|WARNING|FAIL",
"message": "Rule-based check result"
}
],
"criticalFindings": [],
"sourceFile": "input.csv"
}9. OQ/PQ test scenarios
| ID | Scenario | Expected result |
|---|---|---|
| TC-001 | Valid CSV with expected header and sample row | All rows are processed; output contains PASS/WARNING/FAIL and parameter-level detail. |
| TC-002 | A mandatory input.csv column is missing | Import is rejected or the row receives FAIL with schema reference. |
| TC-003 | A numeric field contains text or a blank value | Type conversion error is recorded; the result is not hidden as PASS. |
| TC-004 | A parameter is outside specification or critical limit | Critical parameters produce FAIL; non-critical deviations produce WARNING according to the rule. |
| TC-007 | Residual solvent above applicable limit | FAIL is produced with solvent name and measured value. |
10. QA/QC, CSV and change control
- Before production use, the client records executable version, checksum, specification/monograph version, test CSV, expected JSON and IQ/OQ results.
- Column names must not be changed without updating the validator and test scenarios.
- The source CSV, output.json and utility version should be stored together as an evidence package.
- Any change in control rules must go through change control and repeated OQ scenario verification.