CE_Peptide_Map_Fingerprint

URS & FS — User Requirements and Functional Specification

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

• • Peak Count: ≥20 (depends on protein and protease)
• • Sequence Coverage: ≥95.0%
• • Fingerprint Correlation with reference: ≥0.98
• • Novel/Unidentified Peaks Count: 0
• • Protein is digested by a specific protease (e.g., trypsin) into peptides.
• • Capillary Electrophoresis (CE) separates peptides by charge and size with high resolution.
• • The resulting profile ("fingerprint") is compared with a reference standard.
• • Any deviation in the profile (peak shift, appearance/disappearance) indicates changes in primary structure or post-translational modifications.
• • Compliance with USP <1053> and Ph. Eur. 2.2.47.
• • Sequence Coverage ≥95% ensures that the majority of the molecule is analyzed.
• • Correlation ≥0.98 confirms batch identity to the standard.
• • Absence of novel peaks is critical for detecting trace degradation products (deamidation, oxidation).
• • Method requires high reproducibility of digestion and separation conditions.
• • Assessment of peptide map complexity (peak count).
• • Calculation of sequence coverage.
• • Statistical profile comparison (correlation).

URS — User Requirements Specification

input.csv contract

BatchNumber,PeakCount,Coverage%,Correlation,MainArea%,NovelPeaks
PEPMAP-CE-2026-001,45,98.5,0.995,100.0,0
PEPMAP-CE-2026-002,44,97.8,0.992,99.5,0
PEPMAP-FAIL-2026-003,30,85.0,0.920,95.0,3

FS — Functional Specification

Example output.json

{
  "utilityId": "ce-peptide-map-fingerprint",
  "utilityName": "CE_Peptide_Map_Fingerprint",
  "overallStatus": "PASS|WARNING|FAIL",
  "sourceFile": "input.csv",
  "checks": [
    {
      "parameter": "BatchNumber",
      "value": "PEPMAP-CE-2026-001",
      "status": "PASS|WARNING|FAIL",
      "message": "Rule-based check result"
    },
    {
      "parameter": "PeakCount",
      "value": "45",
      "status": "PASS|WARNING|FAIL",
      "message": "Rule-based check result"
    },
    {
      "parameter": "Coverage%",
      "value": "98.5",
      "status": "PASS|WARNING|FAIL",
      "message": "Rule-based check result"
    },
    {
      "parameter": "Correlation",
      "value": "0.995",
      "status": "PASS|WARNING|FAIL",
      "message": "Rule-based check result"
    },
    {
      "parameter": "MainArea%",
      "value": "100.0",
      "status": "PASS|WARNING|FAIL",
      "message": "Rule-based check result"
    },
    {
      "parameter": "NovelPeaks",
      "value": "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.