XeIsotopicEnrichmentVerifier

Xe Isotopic Enrichment Verifier

api Hyperpolarized Xenon RPH Xe-129 medical gases CSV→JSON URS & FS rule-based

Utility description: Xe Isotopic Enrichment Verifier

Xe Isotopic Enrichment Verifier — Xenon-129 Isotopic Enrichment Verifier

ℹ️  Utility checks mass spectrometry data against certificate:
    • Xe-129 percentage content
    • Sum of impurity isotopes
    • Mass balance (sum 100%)

⚠️  CRITICAL: Low enrichment drastically reduces MRI signal!
    Natural xenon contains only ~26% Xe-129.

Usage:
  XeIsotopicEnrichmentVerifier.exe                            → demo mode (console output)
  XeIsotopicEnrichmentVerifier.exe input.csv output.json      → evaluate your data

Input format:
BatchNumber,ProductName,Xe124,Xe126,Xe128,Xe129,Xe130,Xe131,Xe132,Xe134,Xe136,Min_Xe129,Max_Others

Example:
  ISO-XE-2026-001,Xe-129 Enriched,0.1,0.1,1.0,90.0,1.0,2.0,3.0,1.5,1.3,85.0,15.0

— WHY IS THIS NEEDED?
Isotopic composition control is critical for HP-MRI economics and quality:
• Only Xe-129 nuclei have the required spin (1/2) for hyperpolarization
• Natural xenon contains only ~26.4% Xe-129, the rest is "dead weight"
• Using unenriched gas requires 3-4 times more volume for the same signal
• Enriched gas (>85-90%) costs significantly more, so verifying declared percentage is important
• Impurities of other isotopes (especially Xe-131 with quadrupole moment) can degrade performance

⚠️  CRITICAL:
• Xe-129 content must match ordered level (usually 85-90%)
• Sum of all isotopes must equal 100% (MS measurement correctness check)
• Deviation towards lower enrichment leads to financial losses and image rejection
• Regular mass spectrometer calibration against standards

Key features:
• Full xenon isotopic profile (9 stable isotopes)
• Enrichment factor calculation relative to natural level
• Mass balance check
• Automatic comparison with supplier certificate

Critical parameters:
• Xe-129 Abundance: ≥85% (example)
• Total Impurities: ≤15%
• Mass Balance: 100% ± 1%

💡 Usage tips:
1. Require detailed mass spectrometric analysis certificates from suppliers
2. Perform incoming control of each new gas batch before loading into polarizer
3. Store gas samples for re-analysis in case of supplier disputes
4. Account that different enrichment methods (centrifugation, laser) yield different impurity profiles
5. Maintain actual enrichment database for accurate patient dose calculation

⚠️ Note: Unlike chemical purity where molecules matter, here nuclear physics matters. A 5% enrichment error can mean 20% useful signal loss due to spin system dilution by "empty" nuclei. The utility protects your investment in expensive isotope.

input.csv

BatchNumber,ProductName,Xe124,Xe126,Xe128,Xe129,Xe130,Xe131,Xe132,Xe134,Xe136,Min_Xe129,Max_Others
ISO-XE-2026-001,Xe-129 Enriched (90%),0.1,0.1,1.0,90.0,1.0,2.0,3.0,1.5,1.3,85.0,15.0
ISO-XE-2026-002,Xe-129 Natural Abundance,0.1,0.1,1.9,26.4,4.1,21.2,26.9,10.4,8.9,85.0,15.0
ISO-XE-2026-003,Xe-129 Enriched (Failed),0.5,0.5,5.0,70.0,5.0,8.0,6.0,3.0,2.0,85.0,15.0

URS & FS — user requirements and functional specification

URS & FS — User Requirements and Functional Specification

This document defines the controlled interface and behaviour of XeIsotopicEnrichmentVerifier for “Xe Isotopic Enrichment Verifier”. 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

Xe-129 Abundance: ≥85% (example)
Total Impurities: ≤15%
Mass Balance: 100% ± 1%

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 “Xe Isotopic Enrichment Verifier”.	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: `api`.	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	`ISO-XE-2026-001`	Batch/lot identifier for traceability.
2	`ProductName`	string	as specified	`Xe-129 Enriched (90%)`	Name of the controlled product, gas, procedure or equipment.
3	`Xe124`	decimal	as specified	`0.1`	Xenon parameter: concentration, isotope fraction, activity, volume or purity depending on the field.
4	`Xe126`	decimal	as specified	`0.1`	Xenon parameter: concentration, isotope fraction, activity, volume or purity depending on the field.
5	`Xe128`	decimal	as specified	`1.0`	Xenon parameter: concentration, isotope fraction, activity, volume or purity depending on the field.
6	`Xe129`	decimal	as specified	`90.0`	Xenon parameter: concentration, isotope fraction, activity, volume or purity depending on the field.
7	`Xe130`	decimal	as specified	`1.0`	Xenon parameter: concentration, isotope fraction, activity, volume or purity depending on the field.
8	`Xe131`	decimal	as specified	`2.0`	Xenon parameter: concentration, isotope fraction, activity, volume or purity depending on the field.
9	`Xe132`	decimal	as specified	`3.0`	Xenon parameter: concentration, isotope fraction, activity, volume or purity depending on the field.
10	`Xe134`	decimal	as specified	`1.5`	Xenon parameter: concentration, isotope fraction, activity, volume or purity depending on the field.
11	`Xe136`	decimal	as specified	`1.3`	Xenon parameter: concentration, isotope fraction, activity, volume or purity depending on the field.
12	`Min_Xe129`	decimal	as specified	`85.0`	Xenon parameter: concentration, isotope fraction, activity, volume or purity depending on the field.
13	`Max_Others`	decimal	as specified	`15.0`	Controlled input.csv field: Max Others.

BatchNumber,ProductName,Xe124,Xe126,Xe128,Xe129,Xe130,Xe131,Xe132,Xe134,Xe136,Min_Xe129,Max_Others
ISO-XE-2026-001,Xe-129 Enriched (90%),0.1,0.1,1.0,90.0,1.0,2.0,3.0,1.5,1.3,85.0,15.0
ISO-XE-2026-002,Xe-129 Natural Abundance,0.1,0.1,1.9,26.4,4.1,21.2,26.9,10.4,8.9,85.0,15.0
ISO-XE-2026-003,Xe-129 Enriched (Failed),0.5,0.5,5.0,70.0,5.0,8.0,6.0,3.0,2.0,85.0,15.0

FS — Functional Specification

ID	Function	Implementation
FS-001	CLI execution	`XeIsotopicEnrichmentVerifier.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 “Xe Isotopic Enrichment Verifier” 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": "xe-isotopic-enrichment-verifier",
  "primaryTag": "api",
  "overallStatus": "PASS|WARNING|FAIL",
  "sourceFile": "input.csv",
  "checks": [
    {
      "parameter": "BatchNumber",
      "value": "ISO-XE-2026-001",
      "status": "PASS|WARNING|FAIL",
      "message": "Rule-based check result"
    },
    {
      "parameter": "ProductName",
      "value": "Xe-129 Enriched (90%)",
      "status": "PASS|WARNING|FAIL",
      "message": "Rule-based check result"
    },
    {
      "parameter": "Xe124",
      "value": "0.1",
      "status": "PASS|WARNING|FAIL",
      "message": "Rule-based check result"
    },
    {
      "parameter": "Xe126",
      "value": "0.1",
      "status": "PASS|WARNING|FAIL",
      "message": "Rule-based check result"
    },
    {
      "parameter": "Xe128",
      "value": "1.0",
      "status": "PASS|WARNING|FAIL",
      "message": "Rule-based check result"
    },
    {
      "parameter": "Xe129",
      "value": "90.0",
      "status": "PASS|WARNING|FAIL",
      "message": "Rule-based check result"
    },
    {
      "parameter": "Xe130",
      "value": "1.0",
      "status": "PASS|WARNING|FAIL",
      "message": "Rule-based check result"
    },
    {
      "parameter": "Xe131",
      "value": "2.0",
      "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.

Open

RPH isotope family: xenon and gas tracers

Xe-127, Xe-129 and Xe-133 for ventilation, hyperpolarized imaging, gas QC and safety.

Open

RPH organ/system: pulmonary and ventilation

Lung perfusion, MAA, V/Q, aerosol, xenon ventilation, shunt and pulmonary dosimetry.

Open

RPH use case: xenon, ventilation and medical gases

Xe-129, Xe-133, Xe-127, hyperpolarization, SEOP, T1, mixing, scavenging, transport, recovery and ventilation imaging.

Open

RPH workflow: product release QC

Assay, purity, sterility, endotoxins, pH, impurities, appearance and batch-release checks.

Open