AAS_Microelements_Supplements

URS & FS — User Requirements and Functional Specification

This document describes the controlled interface, user requirements and functional behaviour of AAS_Microelements_Supplements. 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

• • Atomic Absorption Spectrometry (AAS) on Lumex MGA-1000 allows high-precision determination of metals.
• • Zinc, copper, iron, and manganese are determined in Flame Atomization (FAAS) mode.
• • Selenium is difficult to determine in flame and often requires Graphite Furnace (GFAAS) or hydride generation.
• • Content control is vital for confirming product efficacy and safety (especially for iron and selenium, toxic in high doses).
• • 90-110% tolerance — standard requirement for pharmaceutical forms and quality supplements.
• • Iron may interfere with determination of other elements if wavelength selection is incorrect or spectral overlaps exist.
• • Selenium requires special care during sample preparation due to volatility of some compounds.
• • Complete sample mineralization (acid digestion) is mandatory before analysis.
• • Multi-element analysis (5 key microelements).
• • Verification against Label Claim.
• • Support for different atomization modes (flame/furnace).
• • Zinc: 90-110% LC
• • Copper: 90-110% LC
• • Iron: 90-110% LC
• • Manganese: 90-110% LC
• • Selenium: 90-110% LC

URS — User Requirements Specification

input.csv contract

BatchNumber,Zn_mg,Cu_mg,Fe_mg,Mn_mg,Se_mcg
SUPP-MULTI-2026-001,10.5,1.0,18.0,2.3,55.0
SUPP-MULTI-2026-002,10.0,0.95,17.5,2.2,53.0
SUPP-FAIL-LOW-003,8.0,0.5,15.0,1.8,40.0

FS — Functional Specification

Example output.json

{
  "utilityId": "aas-microelements-supplements",
  "utilityName": "AAS_Microelements_Supplements",
  "overallStatus": "PASS|WARNING|FAIL",
  "sourceFile": "input.csv",
  "checks": [
    {
      "parameter": "BatchNumber",
      "value": "SUPP-MULTI-2026-001",
      "status": "PASS|WARNING|FAIL",
      "message": "Rule-based check result"
    },
    {
      "parameter": "Zn_mg",
      "value": "10.5",
      "status": "PASS|WARNING|FAIL",
      "message": "Rule-based check result"
    },
    {
      "parameter": "Cu_mg",
      "value": "1.0",
      "status": "PASS|WARNING|FAIL",
      "message": "Rule-based check result"
    },
    {
      "parameter": "Fe_mg",
      "value": "18.0",
      "status": "PASS|WARNING|FAIL",
      "message": "Rule-based check result"
    },
    {
      "parameter": "Mn_mg",
      "value": "2.3",
      "status": "PASS|WARNING|FAIL",
      "message": "Rule-based check result"
    },
    {
      "parameter": "Se_mcg",
      "value": "55.0",
      "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.