MicrobialIdentificationSystemQualityChecker
Microbial Identification System
Microbial Identification System Quality Checker — Control of Microbial Identification Quality ℹ️ Utility checks reliability of microbial identification results (MALDI-TOF MS / Biochemical Systems): • Log Score (Confidence Index): ≥2.0 for species, ≥1.7 for genus • Discrimination Index (Difference from 2nd result): ≥0.2 • Spectrum/Test Quality Status: Valid ⚠️ CRITICAL: Log Score < 1.7 means the microorganism is NOT IDENTIFIED! Confirmation by sequencing (16S rRNA) or other methods is required. Usage: MicrobialIdentificationSystemQualityChecker.exe → demo mode (console output) MicrobialIdentificationSystemQualityChecker.exe input.csv output.json → evaluate your data Input format: BatchNumber,IsolateID,IdentifiedSpecies,LogScore,SecondBestLogScore,SpectrumQCStatus Example: MICRO-ID-2026-001,ISO-001,Staphylococcus_aureus,2.45,1.80,Valid — WHY IS THIS NEEDED? Rapid and accurate identification of contaminants is critical for investigating deviations in sterile manufacturing. • Systems like MALDI-TOF MS (Bruker, Shimadzu) or Vitek 2 are standards in modern microbiology labs. • Log Score reflects the degree of similarity of the mass spectrum or biochemical profile with the database. • High score (>2.0) ensures species-level identification with high probability. • Automation eliminates risk of erroneous interpretation of borderline results by operators. ⚠️ CRITICAL: • Database must be regularly updated and validated. • Quality of colony isolation (purity of culture) directly affects spectrum quality. • Low discrimination index (small difference between 1st and 2nd result) indicates system inability to reliably distinguish close species. • Results with low scores must be sent for confirmatory testing. Key features: • Assessment of identification reliability by Log Score. • Verification of result specificity (Discrimination Index). • Control of technical spectrum/test quality. Critical parameters: • Log Score: >= 2.0 (Species), >= 1.7 (Genus) • Discrimination Delta: >= 0.2 • Spectrum QC: Valid 💡 Usage tips: 1. Use standard protein extraction protocols for MALDI-TOF. 2. Regularly calibrate instrument using reference strains. 3. For rare microorganisms, check for entries in the database. 4. Save raw spectra for retrospective analysis upon database updates. 5. Integrate results with Contamination Trending System. ⚠️ Note: Unlike phenotypic methods, MALDI-TOF is based on protein profile analysis. This makes it fast but sensitive to cultivation conditions (colony age, medium).
input.csv
BatchNumber,IsolateID,Species,LogScore,SecondBestScore,SpectrumQC MICRO-ID-2026-001,ISO-001,Staphylococcus_aureus,2.45,1.80,Valid MICRO-ID-2026-002,ISO-002,Escherichia_coli,1.50,1.45,Valid MICRO-ID-2026-003,ISO-003,Pseudomonas_aeruginosa,2.30,2.25,Valid MICRO-ID-FAIL-004,ISO-004,Unknown,0.50,0.40,Invalid
URS & FS — Microbial Identification System
This document describes the user requirements and functional specification for MicrobialIdentificationSystemQualityChecker. 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, IsolateID, Species, LogScore, SecondBestScore, SpectrumQC. | High | The CSV file is processed without manual header editing. |
| URS-002 | The utility shall perform deterministic evaluation for “Microbial Identification System” 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 | MICRO-ID-2026-001 | Input parameter for deterministic QC evaluation. |
| 2 | IsolateID | ISO-001 | Input parameter for deterministic QC evaluation. |
| 3 | Species | Staphylococcus_aureus | Input parameter for deterministic QC evaluation. |
| 4 | LogScore | 2.45 | Input parameter for deterministic QC evaluation. |
| 5 | SecondBestScore | 1.80 | Input parameter for deterministic QC evaluation. |
| 6 | SpectrumQC | Valid | 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
Biopharmaceuticals Extended QC Suite
Extended QC utility coverage for mAbs, biosimilars, proteins, insulins, vaccines, mRNA/LNP, HCP, sterile release, microbiology, water, cleanroom and stability workflows.
OpenDental & Dental Materials QC Suite
QC utility package for dental medicinal products, oral-care products and dental materials: anaesthetics, antiseptics, analgesic/anti-infective products, polymers/minerals, resins, bonding workflows, microbiology, stability and material QC.
OpenInfectious Diseases QC Suite
QC utility package for infectious diseases: antibacterial, antiviral, antifungal and antiparasitic products, microbiology, sterility, endotoxins, viral safety and vaccine release checks.
OpenLabEx QC Suite
LabEx package for laboratory QC methods: chromatography, spectroscopy, microbiology, sterility, endotoxins, particles, dissolution, water, cleanrooms and sample preparation.
OpenRadiology QC Suite
QC package for radiology and diagnostic imaging: radiopharmaceuticals, PET/SPECT, contrast media, iodinated and gadolinium products, plus particle, sterility and endotoxin checks.
Open