DensityRefractiveIndexQualityChecker
Density & Refractive Index
Density & Refractive Index Quality Checker — Control of Density and Refractive Index ℹ️ Utility checks critical physical parameters of liquid substances: • Density: within ±0.002 g/cm³ of reference • Refractive Index (nD): within ±0.001 of reference • Measurement Temperature: 20.0 ± 0.5 °C ⚠️ CRITICAL: Deviation in density or nD indicates impurities or incorrect identity! These methods are primary for rapid identification of pure solvents and liquid APIs. Usage: DensityRefractiveIndexQualityChecker.exe → demo mode (console output) DensityRefractiveIndexQualityChecker.exe input.csv output.json → evaluate your data Input format: BatchNumber,DensityGcm3,RefractiveIndex,TemperatureC Example: LIQ-SOLV-2026-001,0.785,1.377,20.0 — WHY IS THIS NEEDED? Density and refractive index are fundamental physical constants strictly regulated by pharmacopoeias. • Ph. Eur. 2.2.5 and USP <841> describe density determination methods (often using oscillating U-tubes). • Ph. Eur. 2.2.6 and USP <831> describe refractometry methods. • These parameters are sensitive to substance purity. Even small amounts of impurities (water, other alcohols) significantly change readings. • Used for incoming control of solvents, oils, liquid excipients (e.g., glycerin, propylene glycol). ⚠️ CRITICAL: • Temperature must be strictly controlled (usually 20°C) as density and nD are highly temperature-dependent. • Modern digital densimeters and refractometers (Anton Paar, Mettler Toledo) automatically compensate for temperature, but validation requires verification. • Air bubbles in the densimeter cell lead to gross errors. • Refractometry requires a clean prism and proper sample application. Key features: • Dual identity control (Density + RI). • Measurement temperature regime check. • Compliance with Ph. Eur. and USP requirements. Critical parameters: • Density: Target ± Tolerance • Refractive Index: Target ± Tolerance • Temperature: 20.0 ± 0.5 °C 💡 Usage tips: 1. Calibrate instruments daily using air and water (or standard samples). 2. Remove air bubbles before density measurement. 3. For viscous liquids, ensure the cell is completely filled and thermostated for sufficient time. 4. Compare results with the supplier's Certificate of Analysis (CoA). 5. Use these data as a rapid screening tool before more complex chromatographic analysis. ⚠️ Note: Density and refractive index often correlate. Their combined use increases identification reliability compared to using only one parameter.
input.csv
BatchNumber,Density_g_cm3,RefractiveIndex,Temperature_C LIQ-SOLV-2026-001,0.785,1.377,20.0 LIQ-SOLV-2026-002,0.786,1.378,20.1 LIQ-FAIL-2026-003,0.795,1.385,20.0
URS & FS — Density & Refractive Index
This document describes the user requirements and functional specification for DensityRefractiveIndexQualityChecker. 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, Density_g_cm3, RefractiveIndex, Temperature_C. | High | The CSV file is processed without manual header editing. |
| URS-002 | The utility shall perform deterministic evaluation for “Density & Refractive Index” 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 | LIQ-SOLV-2026-001 | Input parameter for deterministic QC evaluation. |
| 2 | Density_g_cm3 | 0.785 | Input parameter for deterministic QC evaluation. |
| 3 | RefractiveIndex | 1.377 | Input parameter for deterministic QC evaluation. |
| 4 | Temperature_C | 20.0 | 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.
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