PotentiometricTitrationQualityChecker
Potentiometric Titration
LabEx laboratory QC CSV→JSON URS & FS utilities / cleanroom
Open selectionPotentiometric Titration Quality Checker — Control of Potentiometric Titration Quality ℹ️ Utility calculates and verifies active substance content by potentiometric titration: • Calculation of Assay % based on titrant volume at equivalence point. • Accounts for titrant molarity, sample mass, molecular weight, and stoichiometry. • Compares result with established specification limits. ⚠️ CRITICAL: Error in equivalence point determination leads to incorrect result! Potentiometry is preferred over visual methods for colored or turbid solutions. Usage: PotentiometricTitrationQualityChecker.exe → demo mode (console output) PotentiometricTitrationQualityChecker.exe input.csv output.json → evaluate your data Input format: BatchNumber,EquivalencePointVolumeMl,TitrantMolarity,SampleMassG,MolarMassGmol,StoichiometryFactor,LowerLimitPercent,UpperLimitPercent Example: TITR-API-2026-001,12.50,0.1000,0.5000,180.16,1.0,99.0,101.0 — WHY IS THIS NEEDED? Potentiometric titration is a precise quantitative method for acids, bases, salts, and redox agents. • Used where visual indicators are inapplicable (turbid solutions, lack of suitable indicator). • Automatic titrators record potential jump, increasing objectivity of endpoint determination. • Content calculation requires many parameters, automation of which reduces error risk. • Complies with pharmacopoeial requirements (USP <541>, Ph. Eur. 2.2.20). ⚠️ CRITICAL: • Electrode must be properly calibrated and conditioned. • Titration speed near equivalence point must be reduced for accuracy. • Solution must be well-stirred. • Temperature can affect electrode potential and dissociation constants. Key features: • Automatic percentage content calculation. • Specification compliance check. • Support for automatic titrator data. Critical parameters: • Assay Content: Within [Lower Limit - Upper Limit] 💡 Usage tips: 1. Regularly check electrode membrane condition. 2. Use reference standards to verify titrant (titer factor). 3. Clean electrode after each measurement per manufacturer instructions. 4. For weak acids/bases, ensure potential jump is sufficiently pronounced. 5. Save titration curves (potential vs volume) for auditing. ⚠️ Note: Unlike acid-base titration with indicators, potentiometry allows recording the entire reaction course, useful for mixture analysis or multi-step processes.
input.csv
BatchNumber,EqVol_mL,Titrant_M,SampleMass_g,MW_gmol,Stoich,Lower%,Upper% TITR-API-2026-001,12.50,0.1000,0.5000,180.16,1.0,99.0,101.0 TITR-API-2026-002,12.45,0.1000,0.5000,180.16,1.0,99.0,101.0 TITR-FAIL-2026-003,11.80,0.1000,0.5000,180.16,1.0,99.0,101.0
URS & FS — Potentiometric Titration
This document describes the user requirements and functional specification for PotentiometricTitrationQualityChecker. 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, EqVol_mL, Titrant_M, SampleMass_g, MW_gmol, Stoich, Lower%, Upper%. | High | The CSV file is processed without manual header editing. |
| URS-002 | The utility shall perform deterministic evaluation for “Potentiometric Titration” 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 | TITR-API-2026-001 | Input parameter for deterministic QC evaluation. |
| 2 | EqVol_mL | 12.50 | Input parameter for deterministic QC evaluation. |
| 3 | Titrant_M | 0.1000 | Input parameter for deterministic QC evaluation. |
| 4 | SampleMass_g | 0.5000 | Input parameter for deterministic QC evaluation. |
| 5 | MW_gmol | 180.16 | Input parameter for deterministic QC evaluation. |
| 6 | Stoich | 1.0 | Input parameter for deterministic QC evaluation. |
| 7 | Lower% | 99.0 | Input parameter for deterministic QC evaluation. |
| 8 | Upper% | 101.0 | 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.
Included in packages
LabEx QC Suite
LabEx package for laboratory QC methods: chromatography, spectroscopy, microbiology, sterility, endotoxins, particles, dissolution, water, cleanrooms and sample preparation.
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