RadiochemicalPurityChecker

Radiochemical Purity

capsules decay correction endotoxins impurities PET radionuclide purity radiopharma SPECT

Radiochemical Purity Checker — Universal utility for radiochemical purity calculation (TLC / HPLC)

ℹ️  Utility calculates radiochemical purity as (target peak area / total peak area) × 100% from chromatographic analysis data.
ℹ️  Supports both methods: TLC (Thin Layer Chromatography) and HPLC (High Performance Liquid Chromatography).
ℹ️  Does not use machine learning — only mathematical calculation and interpretation based on pharmaceutical standards.

Usage:
  RadiochemicalPurityChecker.exe                            → demo mode (console output)
  RadiochemicalPurityChecker.exe input.csv output.json      → calculate with your data

Input format:
BatchNumber,AnalysisType,TargetPeakArea,TotalPeakArea,RfValue

Field explanation:
• BatchNumber — product batch number
• AnalysisType — analysis type: "TLC" or "HPLC" (case insensitive)
• TargetPeakArea — area of target peak/spot (units don't matter, ratio is key)
• TotalPeakArea — total area of ALL peaks/spots in chromatogram
• RfValue — (optional) Rf value for TLC (not used in purity calculation, for information only)

Examples:
  RCP-TLC-001,TLC,9500,10000,0.45       ← for TLC with Rf value
  RCP-HPLC-001,HPLC,9850,10000,          ← for HPLC (Rf field empty)

— HOW IT WORKS?
1. Utility validates input data:
   • TotalPeakArea > 0
   • 0 ≤ TargetPeakArea ≤ TotalPeakArea
2. Calculates radiochemical purity: (TargetPeakArea / TotalPeakArea) × 100%
3. Interprets result based on common pharmaceutical standards:
   • ≥98.0% — EXCELLENT (meets Lutathera®/DOTATATE specification)
   • ≥95.0% — GOOD (meets PSMA, Iodine-131, Radium-223 specification)
   • ≥90.0% — ACCEPTABLE (meets diagnostic agents specification)
   • ≥85.0% — MARGINAL (requires investigation)
   • <85.0% — UNACCEPTABLE (product fails specification)
4. Outputs recommendation with interpretation and reminder to compare with product-specific specification.

⚠️ IMPORTANT:
• Radiochemical purity is a CRITICAL quality parameter for radiopharmaceuticals!
• Low purity means presence of radioactive impurities that:
  — Increase patient radiation dose without therapeutic effect
  — Reduce treatment efficacy
  — May accumulate in non-target organs
• Utility does NOT replace official analysis but allows rapid assessment of chromatography results.
• FINAL decision on product suitability is made by comparing with approved specification for specific product.

📌 Recommended radiochemical purity limits for common products:
• Lutetium-177 DOTATATE (Lutathera®): ≥98.0%
• Lutetium-177 PSMA-617: ≥95.0%
• Iodine-131 capsules: ≥95.0%
• Radium-223 dichloride (Xofigo®): ≥95.0%
• Technetium-99m diagnostic agents: ≥90.0%

💡 Usage tips:
• For TLC: ensure spot areas are measured correctly (using densitometer or software)
• For HPLC: use peak integration from chromatography software
• TotalPeakArea must include ALL peaks/spots, including impurities and background
• When using validated analytical methods, utility speeds up result processing 5-10x

input.csv

BatchNumber,AnalysisType,TargetPeakArea,TotalPeakArea,RfValue
RCP-TLC-001,TLC,9500,10000,0.45
RCP-HPLC-001,HPLC,9850,10000,
RCP-TEST-003,TLC,8500,10000,0.38

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.

Utility: RadiochemicalPurityCheckerAPI / object: Radiochemical PurityCategory: Radiopharmaceuticals

1. Scope

The Radiochemical Purity Checker utility is used for Radiochemical Purity. 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: Radiopharmaceuticals

Tags: capsules, decay correction, endotoxins, impurities, PET, radionuclide purity, radiopharma, SPECT, sterility

2. Execution modes

RadiochemicalPurityChecker.exe                            → demo mode (console output)
RadiochemicalPurityChecker.exe input.csv output.json      → calculate with your data

3. Key controlled areas

purity and impurities
microbiology and pathogens
pH and physicochemical parameters
activity, decay and radiochemical purity

4. Domain limits and critical parameters

TotalPeakArea > 0
0 ≤ TargetPeakArea ≤ TotalPeakArea
≥98.0% — EXCELLENT (meets Lutathera®/DOTATATE specification)
≥95.0% — GOOD (meets PSMA, Iodine-131, Radium-223 specification)
≥90.0% — ACCEPTABLE (meets diagnostic agents specification)
≥85.0% — MARGINAL (requires investigation)
<85.0% — UNACCEPTABLE (product fails specification)
⚠️ IMPORTANT:
Lutetium-177 DOTATATE (Lutathera®): ≥98.0%
Lutetium-177 PSMA-617: ≥95.0%
Iodine-131 capsules: ≥95.0%
Radium-223 dichloride (Xofigo®): ≥95.0%
Technetium-99m diagnostic agents: ≥90.0%

Limits stated in the description must be verified against the current approved specification, pharmacopoeial monograph and registration dossier before production use.

5. URS — user requirements

ID	Requirement	Criticality	Acceptance criterion
URS-001	The system shall accept an `input.csv` file for Radiochemical Purity 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: purity and impurities, microbiology and pathogens, pH and physicochemical parameters, activity, decay and radiochemical purity.	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	`RCP-TLC-001`	mandatory field; used for batch/lot traceability
2	`AnalysisType`	text	as specified	Analysis Type	`TLC`	mandatory value; format and acceptability are checked by the utility
3	`TargetPeakArea`	decimal	as specified	Target Peak Area	`9500`	mandatory numeric value; rule comparison is performed by the utility
4	`TotalPeakArea`	decimal	as specified	Total Peak Area	`10000`	mandatory numeric value; rule comparison is performed by the utility
5	`RfValue`	decimal	as specified	Rf Value	`0.45`	mandatory numeric value; rule comparison is performed by the utility

CSV example

BatchNumber,AnalysisType,TargetPeakArea,TotalPeakArea,RfValue
RCP-TLC-001,TLC,9500,10000,0.45

7. FS — functional specification

ID	Function	Implementation description
FS-001	CLI entry point	The executable `RadiochemicalPurityChecker.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 Radiochemical Purity, 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": "RadiochemicalPurityChecker",
  "api": "Radiochemical Purity",
  "batchNumber": "RCP-TLC-001",
  "overallStatus": "PASS|WARNING|FAIL",
  "checkedAtUtc": "2026-05-18T00:00:00Z",
  "checks": [
    {
      "parameter": "BatchNumber",
      "value": "RCP-TLC-001",
      "unit": "as specified",
      "status": "PASS|WARNING|FAIL",
      "message": "Rule-based check result"
    },
    {
      "parameter": "AnalysisType",
      "value": "TLC",
      "unit": "as specified",
      "status": "PASS|WARNING|FAIL",
      "message": "Rule-based check result"
    },
    {
      "parameter": "TargetPeakArea",
      "value": "9500",
      "unit": "as specified",
      "status": "PASS|WARNING|FAIL",
      "message": "Rule-based check result"
    },
    {
      "parameter": "TotalPeakArea",
      "value": "10000",
      "unit": "as specified",
      "status": "PASS|WARNING|FAIL",
      "message": "Rule-based check result"
    },
    {
      "parameter": "RfValue",
      "value": "0.45",
      "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.

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.

Included in packages

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Tumour imaging, PSMA/FAPI/receptor tracers, immuno-PET, targeted radionuclide therapy and radioembolization.

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Assay, purity, sterility, endotoxins, pH, impurities, appearance and batch-release checks.

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