UVVisIdentityAssayQualityChecker

UV-Vis Identity & Assay

LabEx laboratory QC CSV→JSON URS & FS chromatography spectroscopy utilities / cleanroom
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UV-Vis Identity & Assay Quality Checker — Control of Identity and Content (UV Spectroscopy)

ℹ️ Utility checks identity and quantitative content of active pharmaceutical ingredients by UV spectroscopy according to Pharmacopoeia requirements:
• Position of absorption maximum (Lambda Max) — main identity criterion
• Specific Absorbance A(1%, 1 cm) — characteristic of purity and identity
• Absorbance ratio at different wavelengths — additional identity criterion
• Quantitative content (Assay %) — calculation based on Beer-Lambert law

⚠️ CRITICAL: Shift in lambda max (>±1 nm) may indicate impurities, degradation, or wrong solvent!
Specific absorbance value must strictly fall within narrow limits specified in the monograph.

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

Input format:
BatchNumber,ProductName,LambdaMax_nm,AbsorbanceAtLambdaMax,SpecificAbsorbance_A1cm1,AssayPercent,AbsorbanceRatio_250_300,PathLength_cm,Concentration_g_per_100ml

Example:
UV-2026-API-001,Paracetamol,243.0,0.850,850.0,99.8,1.85,1.0,0.001

— WHY IS THIS NEEDED?
UV spectroscopy is a fast and reliable method for identifying substances with chromophore groups.
It is widely used for incoming raw material control and finished product control.
Combination of peak position and absorbance magnitude provides high confidence in identification.

⚠️ CRITICAL:
• Lambda Max: Must match reference standard. Solvent strongly affects peak position (solvatochromism).
• Specific Absorbance A(1%, 1 cm): Calculated as A / (c * l), where c is concentration in g/100 ml, l is path length in cm.
• Beer-Lambert Law: Valid only for dilute solutions. Deviations occur at high concentrations.
• Cuvette Cleanliness: Scratches or dirt on cuvette distort absorbance results.

Key features:
• Check of spectral identity parameters
• Calculation and control of specific absorbance
• Assessment of quantitative content (Assay)
• Generation of reports for QC and LIMS LabWare
• Compliance with general Pharmacopoeia chapters on spectroscopy

Critical parameters:
• Lambda Max: within ±1-2 nm of standard
• Specific Absorbance: within limits specified in monograph (e.g., ±2-3%)
• Assay: 98.0–102.0% (for APIs)
• Absorbance Ratio: within established limits

💡 Usage tips:
1. Solvent: Use only the solvent specified in the method (often alcohol, water, or buffer).
2. Scanning: Before measuring absorbance, it is recommended to scan full spectrum (e.g., 200-400 nm) to check peak shape.
3. Blank: Always subtract spectrum of pure solvent (Blank).
4. Absorbance Range: Most accurate measurements are in absorbance range 0.2–0.8. Avoid values >1.5.
5. Calibration: Check wavelength and photometric accuracy of instrument using filters (e.g., holmium oxide).

⚠️ Note: UV method is not specific for complex mixtures, as many substances absorb in similar regions. For complex matrices, HPLC is preferred. However, for individual APIs, it is an excellent tool.

input.csv

BatchNumber,ProductName,LambdaMax_nm,AbsorbanceAtLambdaMax,SpecificAbsorbance_A1cm1,AssayPercent,AbsorbanceRatio_250_300,PathLength_cm,Concentration_g_per_100ml
UV-2026-API-001,Paracetamol API,243.0,0.850,850.0,99.8,1.85,1.0,0.001
UV-2026-API-002,Ibuprofen API,264.0,0.620,450.0,101.2,2.10,1.0,0.002

URS & FS — UV-Vis Identity & Assay

This document describes the user requirements and functional specification for UVVisIdentityAssayQualityChecker. The utility is intended for QC laboratory use as a rule-based check of data prepared from an instrument, LIMS, ELN, MES or an approved input.csv.

URS — User Requirements Specification

IDRequirementCriticalityAcceptance criterion
URS-001The utility shall accept input.csv with approved columns: BatchNumber, ProductName, LambdaMax_nm, AbsorbanceAtLambdaMax, SpecificAbsorbance_A1cm1, AssayPercent, AbsorbanceRatio_250_300, PathLength_cm, Concentration_g_per_100ml.HighThe CSV file is processed without manual header editing.
URS-002The utility shall perform deterministic evaluation for “UV-Vis Identity & Assay” without machine learning.HighThe same input data produce the same JSON result.
URS-003The utility shall validate mandatory fields, numeric formats, flags, ranges and domain plausibility.HighSchema and conversion errors are explicitly reported.
URS-004The utility shall generate output.json with PASS / WARNING / FAIL statuses, source values, warnings and failures.HighThe JSON result is suitable for review, deviation investigation and integration.
URS-005The documentation shall support IQ/OQ/PQ or CSV/CSA verification.MediumURS/FS, CSV/JSON contract and test scenarios are supplied with the utility.

input.csv contract

#FieldSamplePurpose
1BatchNumberUV-2026-API-001Input parameter for deterministic QC evaluation.
2ProductNameParacetamol APIInput parameter for deterministic QC evaluation.
3LambdaMax_nm243.0Input parameter for deterministic QC evaluation.
4AbsorbanceAtLambdaMax0.850Input parameter for deterministic QC evaluation.
5SpecificAbsorbance_A1cm1850.0Input parameter for deterministic QC evaluation.
6AssayPercent99.8Input parameter for deterministic QC evaluation.
7AbsorbanceRatio_250_3001.85Input parameter for deterministic QC evaluation.
8PathLength_cm1.0Input parameter for deterministic QC evaluation.
9Concentration_g_per_100ml0.001Input parameter for deterministic QC evaluation.

FS — Functional Specification

IDFunctionImplementation
FS-001CSV importRead input.csv; validate header, column count and encoding.
FS-002Schema validationCheck required fields and permitted input values.
FS-003Rule engineApply domain rules, limits and system suitability/specification checks described in the source utility description.
FS-004Status aggregationProduce final status: FAIL for critical failure, WARNING for non-critical deviation, PASS for conformance.
FS-005JSON exportWrite machine-readable output.json for LIMS/ELN/MES and QA/QC review.

OQ/PQ scenarios

  • OQ-001: a valid sample row shall be processed without schema error.
  • OQ-002: a missing mandatory column shall produce a schema error.
  • OQ-003: a non-numeric value in a numeric field shall produce a conversion error.
  • OQ-004: a critical parameter outside the limit shall produce FAIL or a critical finding.
  • PQ-001: user real batches shall be checked with retention of input.csv, output.json, utility version and checksum.

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