CE_Inorganic_Ions_Analyzer

URS & FS — User Requirements and Functional Specification

This document describes the controlled interface, user requirements and functional behaviour of CE_Inorganic_Ions_Analyzer. The utility is intended for automated verification of laboratory, pharmacopoeial, analytical or manufacturing QC parameters using input.csv and producing a structured output.json result.

Domain limits and critical parameters

• • Capillary Electrophoresis (CE) with indirect conductometric detection (C4D) is an effective alternative to ion chromatography.
• • The method allows simultaneous determination of anions (Cl-, SO4 2-, NO3-, PO4 3-) and cations (Na+, K+, Ca2+, Mg2+) in one analysis (using two capillaries or sequential runs).
• • High separation efficiency and low reagent consumption make CE a cost-effective method.
• • Compliance with pharmacopoeial requirements (USP <621>, Ph. Eur. 2.2.47) for separation techniques.
• • Purity of buffer and water for solution preparation is critical due to high concentrations of background ions.
• • Migration time stability depends on temperature and capillary condition.
• • Quantitative analysis requires use of internal standards or external standard calibration.
• • Limits are set by specific monograph or specification for water/substance.
• • Simultaneous control of main inorganic ions.
• • Support for data from CE systems with C4D detectors (e.g., Lumex Capel).
• • Automatic compliance check against established limits.
• • Chloride: <= 50.0 ppm
• • Sulfate: <= 50.0 ppm
• • Nitrate: <= 10.0 ppm
• • Phosphate: <= 5.0 ppm
• • Sodium: <= 20.0 ppm

URS — User Requirements Specification

input.csv contract

BatchNumber,Cl_ppm,SO4_ppm,NO3_ppm,PO4_ppm,Na_ppm
WATER-CE-2026-001,5.0,2.0,1.0,0.5,10.0
SUBST-CE-2026-002,15.0,10.0,2.0,1.0,50.0
FAIL-CE-2026-003,60.0,55.0,15.0,8.0,25.0

FS — Functional Specification

Example output.json

{
  "utilityId": "ce-inorganic-ions-analyzer",
  "utilityName": "CE_Inorganic_Ions_Analyzer",
  "overallStatus": "PASS|WARNING|FAIL",
  "sourceFile": "input.csv",
  "checks": [
    {
      "parameter": "BatchNumber",
      "value": "WATER-CE-2026-001",
      "status": "PASS|WARNING|FAIL",
      "message": "Rule-based check result"
    },
    {
      "parameter": "Cl_ppm",
      "value": "5.0",
      "status": "PASS|WARNING|FAIL",
      "message": "Rule-based check result"
    },
    {
      "parameter": "SO4_ppm",
      "value": "2.0",
      "status": "PASS|WARNING|FAIL",
      "message": "Rule-based check result"
    },
    {
      "parameter": "NO3_ppm",
      "value": "1.0",
      "status": "PASS|WARNING|FAIL",
      "message": "Rule-based check result"
    },
    {
      "parameter": "PO4_ppm",
      "value": "0.5",
      "status": "PASS|WARNING|FAIL",
      "message": "Rule-based check result"
    },
    {
      "parameter": "Na_ppm",
      "value": "10.0",
      "status": "PASS|WARNING|FAIL",
      "message": "Rule-based check result"
    }
  ],
  "criticalFindings": [],
  "warnings": [],
  "generatedFor": "QA/QC review and LIMS integration"
}

Traceability matrix

OQ/PQ test scenarios

QA/QC and change control

• Do not rename columns without updating the validator, documentation and test set.
• Retain input.csv, output.json, executable version, documentation and checksum.
• Before production use, perform IQ/OQ/PQ or equivalent CSV/CSA verification.
• Critical limits must be verified against the approved specification, local SOPs and registration dossier.