MicrowaveDigestionPrepQualityChecker
Microwave Digestion Prep
Microwave Digestion Prep Quality Checker — Control of Microwave Digestion Quality ℹ️ Utility checks critical parameters of sample preparation for elemental analysis: • Temperature: reaching target value (e.g., 180°C) • Pressure: within safe operating limits • Hold Time: sufficient for complete matrix oxidation • Visual Check: absence of precipitate (complete digestion) ⚠️ CRITICAL: Presence of precipitate or failure to reach temperature leads to incomplete analyte extraction! This causes systematic error (underestimation) in subsequent ICP-MS/AAS analysis. Usage: MicrowaveDigestionPrepQualityChecker.exe → demo mode (console output) MicrowaveDigestionPrepQualityChecker.exe input.csv output.json → evaluate your data Input format: BatchNumber,MaxTemperatureC,MaxPressureBar,HoldTimeMin,FinalVolumeMl,HasPrecipitate Example: DIGEST-2026-001,180.0,35.0,15.0,50.0,0 — WHY IS THIS NEEDED? Microwave digestion is a standard method for preparing solid and liquid samples for heavy metal and elemental impurity determination. • High temperature and pressure in closed vessels ensure rapid and complete destruction of organic matrix. • Control of cycle parameters (T, P, t) guarantees extraction reproducibility. • Visual inspection is a mandatory QC step before dilution and analysis. • Automation of instrument log checks allows rapid rejection of failed samples. ⚠️ CRITICAL: • Failure to reach target temperature may indicate sensor malfunction or incorrect sample weight. • Pressure exceedance is dangerous and can cause vessel rupture. • Precipitate indicates presence of insoluble compounds (e.g., sulfates, silicates) or incomplete carbon oxidation. • For complex matrices, two-stage digestion or HF addition (with caution) may be required. Key features: • Verification of digestion profile compliance with method. • Safety control (pressure). • Assessment of digestion completeness by visual sign. Critical parameters: • Temperature: Target ± Tolerance • Pressure: < Safety Limit • Hold Time: >= Minimum Required • Precipitate: None (0) 💡 Usage tips: 1. Always use high-purity reagents (Trace Metal Grade). 2. Thoroughly clean vessels between runs to avoid cross-contamination. 3. Check vessel sealing rings for integrity. 4. Allow vessels to cool completely before opening in fume hood. 5. If precipitate is present, try adding fresh acid and repeating the cycle. ⚠️ Note: Some elements (e.g., mercury) may be lost at high temperatures if special additives or cooling modes are not used. They require specific control of the temperature profile.
input.csv
BatchNumber,MaxTemp_C,MaxPress_bar,HoldTime_min,FinalVol_ml,HasPrecipitate(0/1) DIGEST-2026-001,180.0,35.0,15.0,50.0,0 DIGEST-2026-002,178.5,32.0,12.0,50.0,0 DIGEST-FAIL-2026-003,150.0,20.0,10.0,50.0,1
URS & FS — Microwave Digestion Prep
This document describes the user requirements and functional specification for MicrowaveDigestionPrepQualityChecker. 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, MaxTemp_C, MaxPress_bar, HoldTime_min, FinalVol_ml, HasPrecipitate(0/1). | High | The CSV file is processed without manual header editing. |
| URS-002 | The utility shall perform deterministic evaluation for “Microwave Digestion Prep” 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 | DIGEST-2026-001 | Input parameter for deterministic QC evaluation. |
| 2 | MaxTemp_C | 180.0 | Input parameter for deterministic QC evaluation. |
| 3 | MaxPress_bar | 35.0 | Input parameter for deterministic QC evaluation. |
| 4 | HoldTime_min | 15.0 | Input parameter for deterministic QC evaluation. |
| 5 | FinalVol_ml | 50.0 | Input parameter for deterministic QC evaluation. |
| 6 | HasPrecipitate(0/1) | 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.
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