UVVisIdentityAssayQualityChecker
UV-Vis Identity & Assay
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
| ID | Requirement | Criticality | Acceptance criterion |
|---|---|---|---|
| URS-001 | The 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. | High | The CSV file is processed without manual header editing. |
| URS-002 | The utility shall perform deterministic evaluation for “UV-Vis Identity & Assay” without machine learning. | High | The same input data produce the same JSON result. |
| URS-003 | The utility shall validate mandatory fields, numeric formats, flags, ranges and domain plausibility. | High | Schema and conversion errors are explicitly reported. |
| URS-004 | The utility shall generate output.json with PASS / WARNING / FAIL statuses, source values, warnings and failures. | High | The JSON result is suitable for review, deviation investigation and integration. |
| URS-005 | The documentation shall support IQ/OQ/PQ or CSV/CSA verification. | Medium | URS/FS, CSV/JSON contract and test scenarios are supplied with the utility. |
input.csv contract
| # | Field | Sample | Purpose |
|---|---|---|---|
| 1 | BatchNumber | UV-2026-API-001 | Input parameter for deterministic QC evaluation. |
| 2 | ProductName | Paracetamol API | Input parameter for deterministic QC evaluation. |
| 3 | LambdaMax_nm | 243.0 | Input parameter for deterministic QC evaluation. |
| 4 | AbsorbanceAtLambdaMax | 0.850 | Input parameter for deterministic QC evaluation. |
| 5 | SpecificAbsorbance_A1cm1 | 850.0 | Input parameter for deterministic QC evaluation. |
| 6 | AssayPercent | 99.8 | Input parameter for deterministic QC evaluation. |
| 7 | AbsorbanceRatio_250_300 | 1.85 | Input parameter for deterministic QC evaluation. |
| 8 | PathLength_cm | 1.0 | Input parameter for deterministic QC evaluation. |
| 9 | Concentration_g_per_100ml | 0.001 | Input parameter for deterministic QC evaluation. |
FS — Functional Specification
| ID | Function | Implementation |
|---|---|---|
| FS-001 | CSV import | Read input.csv; validate header, column count and encoding. |
| FS-002 | Schema validation | Check required fields and permitted input values. |
| FS-003 | Rule engine | Apply domain rules, limits and system suitability/specification checks described in the source utility description. |
| FS-004 | Status aggregation | Produce final status: FAIL for critical failure, WARNING for non-critical deviation, PASS for conformance. |
| FS-005 | JSON export | Write 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
FAILor a critical finding. - PQ-001: user real batches shall be checked with retention of
input.csv,output.json, utility version and checksum.
Included in packages
Addiction Medicine & Controlled Substances QC Suite
QC utility package for addiction medicine and regulated medicinal products: addiction-treatment medicines, opioids, benzodiazepines, stimulants, sedatives, volatile impurities, assay/identity/dissolution/release checks.
OpenBiopharmaceuticals Extended QC Suite
Extended QC utility coverage for mAbs, biosimilars, proteins, insulins, vaccines, mRNA/LNP, HCP, sterile release, microbiology, water, cleanroom and stability workflows.
OpenDental & Dental Materials QC Suite
QC utility package for dental medicinal products, oral-care products and dental materials: anaesthetics, antiseptics, analgesic/anti-infective products, polymers/minerals, resins, bonding workflows, microbiology, stability and material QC.
OpenInfectious Diseases QC Suite
QC utility package for infectious diseases: antibacterial, antiviral, antifungal and antiparasitic products, microbiology, sterility, endotoxins, viral safety and vaccine release checks.
OpenLabEx QC Suite
LabEx package for laboratory QC methods: chromatography, spectroscopy, microbiology, sterility, endotoxins, particles, dissolution, water, cleanrooms and sample preparation.
OpenRadiology QC Suite
QC package for radiology and diagnostic imaging: radiopharmaceuticals, PET/SPECT, contrast media, iodinated and gadolinium products, plus particle, sterility and endotoxin checks.
Open