StorageVialSurfaceQualityChecker
Storage Vial Surface Quality Checker
Utility description: Storage Vial Surface Quality Checker
Storage Vial Surface Quality Checker — HP-Xe Storage Vial Surface Quality Analyzer
ℹ️ Utility evaluates suitability of glass containers for hyperpolarized xenon storage:
• Wall relaxivity activity
• Anti-relaxation coating uniformity
• Paramagnetic impurity content
• Surface roughness
⚠️ CRITICAL: Glass contains iron that kills polarization!
Without special coating (Cs, Silane), gas will depolarize in seconds.
Usage:
StorageVialSurfaceQualityChecker.exe → demo mode (console output)
StorageVialSurfaceQualityChecker.exe input.csv output.json → evaluate your data
Input format:
BatchNumber,ProductName,Relaxivity_ms,Paramag_ppm,Coating_Percent,Roughness_nm,Pressure_Bar,Max_Relaxivity,Min_Coating
Example:
VIAL-2026-001,Cs-Coated Vial,50,0.1,98,10,1,100,95
— WHY IS THIS NEEDED?
Vial surface quality is critical for hyperpolarization preservation:
• Xenon atoms constantly collide with vessel walls
• Ordinary glass contains paramagnetic ions (Fe3+) that instantly destroy spin orientation
• Special coatings (cesium, organosilanes) are used to prevent this
• Any coating defects or roughness lead to local rapid signal loss
• Vial quality control helps avoid spoiling entire batch of expensive gas
⚠️ CRITICAL:
• Wall relaxivity activity must be minimal (low rate)
• Coating must cover ≥95% of surface without gaps
• Paramagnetic impurities must be absent (< 1 ppm)
• Roughness must be minimal to reduce collision frequency
Key features:
• Anti-relaxation coating efficiency assessment
• Glass paramagnetic contamination detection
• Surface geometry control (roughness)
• Polarization lifetime prediction in given vessel
Critical parameters:
• Relaxivity Rate: ≤100 (unit dependent)
• Coating Uniformity: ≥95%
• Paramagnetic Impurities: < 1 ppm
• Roughness: < 50 nm
💡 Usage tips:
1. Use NMR relaxometry methods to assess coating quality
2. Perform visual inspection for microcracks and chips
3. Store vials in inert atmosphere before gas filling
4. Avoid inner surface contact with metal tools
5. Regularly test new glass batches from suppliers
⚠️ Note: Unlike standard chemical ware where only cleanliness matters, here quantum "friendliness" of surface is important. Even perfectly clean glass may be unsuitable due to its magnetic properties. The utility helps select only those vessels capable of preserving gas quantum state.input.csv
BatchNumber,ProductName,Relaxivity_ms,Paramag_ppm,Coating_Percent,Roughness_nm,Pressure_Bar,Max_Relaxivity,Min_Coating VIAL-2026-001,Cs-Coated Glass Vial,50,0.1,98,10,1,100,95 VIAL-2026-002,Bare Glass Vial (Bad),500,15.0,0,200,1,100,95 VIAL-2026-003,Silane-Coated Vial,80,0.5,96,25,1,100,95
URS & FS — user requirements and functional specification
URS & FS — User Requirements and Functional Specification
This document defines the controlled interface and behaviour of StorageVialSurfaceQualityChecker for “Storage Vial Surface Quality Checker”. Limits from the source description are an initial configuration and shall be reconciled with the approved specification, study protocol, equipment instructions and local SOPs before production use.
Domain constraints and critical parameters
- Relaxivity Rate: ≤100 (unit dependent)
- Coating Uniformity: ≥95%
- Paramagnetic Impurities: < 1 ppm
- Roughness: < 50 nm
URS — User Requirements Specification
| ID | Requirement | Criticality | Acceptance criterion |
|---|---|---|---|
| URS-001 | The utility shall accept input.csv with the exact headers defined by the data contract. | High | The file is processed without manual header renaming. |
| URS-002 | The utility shall perform a deterministic assessment for “Storage Vial Surface Quality Checker”. | High | PASS / WARNING / FAIL is produced for each row. |
| URS-003 | Required fields, types, ranges, units and data consistency shall be validated before domain rules. | High | Schema errors are separated from nonconformities. |
| URS-004 | Critical limits from the description and approved local configuration shall create a critical finding. | High | A critical rule violation results in FAIL. |
| URS-005 | The result shall be written to machine-readable output.json. | High | JSON contains source values, checks, warnings and failures. |
| URS-006 | The conformity decision shall not use machine learning. | Medium | The result is reproducible from explicit rules and inputs. |
| URS-007 | Traceability of batch, source file, rule version and final status shall be retained. | High | QA/QC can reproduce the decision. |
| URS-008 | The utility shall have exactly one primary portal tag: medical_devices. | Medium | The other api / instrumental / medical_devices tags are absent. |
| URS-009 | Documentation shall support IQ/OQ/PQ or equivalent CSA/CSV verification. | Medium | The contract, test scenarios and change-control rules are supplied with the utility. |
input.csv data contract
| # | Field | Type | Unit | Sample | Purpose |
|---|---|---|---|---|---|
| 1 | BatchNumber | string | as specified | VIAL-2026-001 | Batch/lot identifier for traceability. |
| 2 | ProductName | string | as specified | Cs-Coated Glass Vial | Name of the controlled product, gas, procedure or equipment. |
| 3 | Relaxivity_ms | decimal | as specified | 50 | Controlled input.csv field: Relaxivity ms. |
| 4 | Paramag_ppm | decimal | ppm | 0.1 | Controlled input.csv field: Paramag ppm. |
| 5 | Coating_Percent | decimal | % | 98 | Controlled input.csv field: Coating Percent. |
| 6 | Roughness_nm | decimal | nm | 10 | Controlled input.csv field: Roughness nm. |
| 7 | Pressure_Bar | decimal | as specified | 1 | Delivery-circuit pressure; a patient and equipment safety parameter. |
| 8 | Max_Relaxivity | decimal | as specified | 100 | Controlled input.csv field: Max Relaxivity. |
| 9 | Min_Coating | decimal | °C | 95 | Controlled input.csv field: Min Coating. |
BatchNumber,ProductName,Relaxivity_ms,Paramag_ppm,Coating_Percent,Roughness_nm,Pressure_Bar,Max_Relaxivity,Min_Coating VIAL-2026-001,Cs-Coated Glass Vial,50,0.1,98,10,1,100,95 VIAL-2026-002,Bare Glass Vial (Bad),500,15.0,0,200,1,100,95 VIAL-2026-003,Silane-Coated Vial,80,0.5,96,25,1,100,95
FS — Functional Specification
| ID | Function | Implementation |
|---|---|---|
| FS-001 | CLI execution | StorageVialSurfaceQualityChecker.exe supports demo mode and input.csv output.json mode. |
| FS-002 | CSV import | Read UTF-8 CSV and validate header, column count and order. |
| FS-003 | Schema validation | Validate required values, empties, types and basic plausibility. |
| FS-004 | Domain rule engine | Apply explicit rules for “Storage Vial Surface Quality Checker” and locally approved limits. |
| FS-005 | Status aggregation | FAIL for a critical finding; WARNING for a non-critical deviation; PASS for conformity. |
| FS-006 | JSON export | Write source values, applied rules, statuses, warnings, failures and configuration version. |
| FS-007 | Audit support | Retain a result structure suitable for review, investigation, IQ/OQ and change control. |
| FS-008 | Integration contract | LIMS/ELN/MES or an instrument wrapper creates CSV; the utility returns JSON. |
output.json example
{
"utilityId": "storage-vial-surface-quality-checker",
"primaryTag": "medical_devices",
"overallStatus": "PASS|WARNING|FAIL",
"sourceFile": "input.csv",
"checks": [
{
"parameter": "BatchNumber",
"value": "VIAL-2026-001",
"status": "PASS|WARNING|FAIL",
"message": "Rule-based check result"
},
{
"parameter": "ProductName",
"value": "Cs-Coated Glass Vial",
"status": "PASS|WARNING|FAIL",
"message": "Rule-based check result"
},
{
"parameter": "Relaxivity_ms",
"value": "50",
"status": "PASS|WARNING|FAIL",
"message": "Rule-based check result"
},
{
"parameter": "Paramag_ppm",
"value": "0.1",
"status": "PASS|WARNING|FAIL",
"message": "Rule-based check result"
},
{
"parameter": "Coating_Percent",
"value": "98",
"status": "PASS|WARNING|FAIL",
"message": "Rule-based check result"
},
{
"parameter": "Roughness_nm",
"value": "10",
"status": "PASS|WARNING|FAIL",
"message": "Rule-based check result"
},
{
"parameter": "Pressure_Bar",
"value": "1",
"status": "PASS|WARNING|FAIL",
"message": "Rule-based check result"
},
{
"parameter": "Max_Relaxivity",
"value": "100",
"status": "PASS|WARNING|FAIL",
"message": "Rule-based check result"
}
],
"warnings": [],
"criticalFindings": []
}
OQ/PQ test scenarios
| ID | Scenario | Expected result |
|---|---|---|
| OQ-001 | Valid example row | PASS or an allowed WARNING under local rules. |
| OQ-002 | Required column missing | Schema error; domain checks do not mask it. |
| OQ-003 | Non-numeric value in numeric field | Type-conversion error. |
| OQ-004 | Critical parameter outside its limit | FAIL and a critical finding. |
| OQ-005 | Boundary value | The result follows the configured ≤ / ≥ / < / > operator. |
| PQ-001 | Real site data | Agreed QA/QC review retaining CSV, JSON, version and checksum. |
QA/QC and change control
- Do not change column names without updating the validator, documentation and test set.
- Retain input.csv, output.json, executable version, rule version and checksums.
- Before production use, verify local limits and execute IQ/OQ/PQ or equivalent CSA.
- Changes affecting patient safety, dosimetry, gas composition, polarization or equipment require documented impact assessment.
Included in packages
Rph Hyperpolarized Xenon Lifecycle QC Suite
29 utilities for the hyperpolarized xenon lifecycle: isotope composition and gas purity, SEOP and polarization, T1/storage/transport, safe blending and delivery, MRI/SPECT QC, dosimetry, scavenging, recovery and recycling.
OpenRPH isotope family: xenon and gas tracers
Xe-127, Xe-129 and Xe-133 for ventilation, hyperpolarized imaging, gas QC and safety.
OpenRPH organ/system: pulmonary and ventilation
Lung perfusion, MAA, V/Q, aerosol, xenon ventilation, shunt and pulmonary dosimetry.
OpenRPH use case: xenon, ventilation and medical gases
Xe-129, Xe-133, Xe-127, hyperpolarization, SEOP, T1, mixing, scavenging, transport, recovery and ventilation imaging.
OpenRPH workflow: instruments, devices and radiation safety
PET/gamma-camera state, calibration, detector QC, energy window, TOF, shielding and radiation safety.
OpenRPH workflow: product release QC
Assay, purity, sterility, endotoxins, pH, impurities, appearance and batch-release checks.
OpenRPH workflow: stability, storage, decay and waste
Kinetic stability, shelf life, decay correction, expiry, storage, trend and radioactive waste.
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