DensityRefractiveIndexQualityChecker

Density & Refractive Index

LabEx laboratory QC CSV→JSON URS & FS chromatography utilities / cleanroom
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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

IDRequirementCriticalityAcceptance criterion
URS-001The utility shall accept input.csv with approved columns: BatchNumber, Density_g_cm3, RefractiveIndex, Temperature_C.HighThe CSV file is processed without manual header editing.
URS-002The utility shall perform deterministic evaluation for “Density & Refractive Index” 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
1BatchNumberLIQ-SOLV-2026-001Input parameter for deterministic QC evaluation.
2Density_g_cm30.785Input parameter for deterministic QC evaluation.
3RefractiveIndex1.377Input parameter for deterministic QC evaluation.
4Temperature_C20.0Input 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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