OCO for LIMS/ELN integration

Audience perspective · LIMS/ELN integration

One bridge, 14 ELN/LIMS systems — plus the entire open-source materials stack around it

OCO does not bridge each ELN/LIMS vendor system individually but bridges the ELN-Filetype standard — the RO-Crate-based cross-vendor export currently adopted by 14 ELN/LIMS systems. One bridge covers the whole pool. In addition, the L0 layer connects OCO directly to the open-source materials stack that is the de-facto backbone of the MSE community: PMDco, EMMO-Crystallography, BattINFO, CHMO, OBI, schema.org, RO-Crate, Materials Project, OPTIMADE, Croissant.

What you get

  • Cross-vendor bridge instead of 14 individual mappings: connection via the ELN-Filetype standard (RO-Crate-based) — whatever you export today from eLabFTW, Chemotion, or Kadi4Mat lands as ABox-ready material in OCO.
  • L1 as directly importable LIMS/ELN baseline: sample, equipment, measurement, identifier, provenance — the material-agnostic layer of the architecture, released under CC-BY-SA 4.0, no more class double-modelling.
  • SIPOC fragment ABox model: OCO does not expect every measurement position to be complete. Real lab data and literature extraction are never complete — the SIPOC granularity plus the three-tier identifier hierarchy (mandatory / recommended / optional) accepts this rather than rejecting incomplete data.
  • Reuse-before-invention discipline: in the most recent interop wave, 18 candidate properties were reduced to 0 and 15 candidate classes to 5 because they already existed in the open stack. You do not pull anything new into the stack that already lives somewhere else.

The 14-system bridge via the ELN-Filetype standard

The ELN-Filetype standard (maintained by The ELN Consortium) is an RO-Crate-based export format establishing cross-vendor interoperability for electronic lab notebooks and lab information management systems. OCO bridges to this format once — and thereby covers the entire adopters pool without maintaining a per-vendor mapping file.

As of 2026: 14 productive ELN/LIMS systems adopt the standard. Notable adopters:

SystemOrigin / focusAdopter status
eLabFTWOpen-source ELN, Pasteur Institute / widely deployed in EU researchRO-Crate export productive
Chemotion ELNNFDI4Chem backbone, KIT, chemistry-focusedRO-Crate export productive
openBISETH Zurich, broadly deployed in life sciences and materialsRO-Crate export productive
Kadi4MatKIT, materials-engineering-focused, part of NFDI-MatWerkRO-Crate export productive
PASTA-ELNFZJ, materials-science-orientedRO-Crate export productive
HerbieRWTH Aachen / IEHK, steel / materials dataRO-Crate export productive
LabIMotionNFDI4Chem, ELN add-onRO-Crate export productive
Sample DBPTB, measurement-centric ELN variantRO-Crate export productive
… and others in the current ELN-Filetype consortium (total: 14 systems productive).

Instead of 14 vendor mappings, OCO has one bridge, plus a thin application profile that bundles the typically-needed modules (sample, equipment, measurement, process, identifier, provenance, format), without the maintenance load of an extracted subset distribution.

L1 as the LIMS/ELN baseline

The material-agnostic L1 layer is exactly the vocabulary that already exists in every LIMS/ELN installation — only this time as a shared definition rather than a per-project rebuilt copy. As of v0.94:

L1 moduleContentBridge targets
oco-sampleSample, sampling, sample state, sample treatmentPMDco, OBI
oco-equipmentLab equipment, measurement devices, facilities, calibration statusPMDco, CHMO, OBI, schema.org
oco-measurementMeasurement, measurement workflow, parameters, resultPMDco, QUDT (units), PROV-O
oco-identifierIdentifier hierarchy (mandatory / recommended / optional), external IDsschema.org, ROR, ORCID
oco-investigationInvestigation / Study / Assay structure, actors, rolesPROV-O, PMDco, OBI
oco-processProcess steps, process inputs/outputs, process provenancePMDco, PROV-O

These L1 modules are publicly available under CC-BY-SA 4.0 (see Ontology Architecture for the licence matrix). They can be imported directly into a LIMS/ELN workflow without pulling the material-specific L2 depth.

The open-source materials stack — what’s wired in

“One bridge, 14 systems” is the ELN side. The tooling and data world around it is wired in as an L0 bridge topology too. Two layers, both productive:

PMD consortium and materials ontologies

Standard / toolDomainBridge status in OCO
PMDcoPlatform MaterialDigital Core Ontology (mid-level, BFO-aligned)full section, primary L0 anchor
EMMO-CrystallographyEuropean Materials & Modelling Ontology, crystallography sub-moduleown bridge section, sub-module versionable
BattINFOBattery materials ontologybridge to all classes that recur in the ceramics domain
EMMO Chemistry / MaterialsEMMO sub-modules Chemistry, Materialsown bridge sections per sub-module
EMMO-ISQISO/IEC 80000 Quantity vocabulary (93 mappings)fully mapped
CHMOChemical Methods Ontologyequipment anchor bridge
ChEBIChemical Entities of Biological Interestsubstance anchor bridge
OBIOntology for Biomedical Investigationsinvestigation anchor bridge
MADO / MWOMaterials Acquisition Description Ontology / Materials Workflow Ontologyown bridge sections
KnowNowPMD predecessor ontology14 process / property mappings (LTCC specifics deliberately excluded)
SmaDiSmart-Materials-Discovery ontology15 mappings, piezo-ceramics subset (shape memory deliberately excluded)
Mieller-FerritFerrite-specific PMD ontologybridge preparation for ferrite pilot

FAIR / data-infrastructure stack

Standard / toolRoleOCO use
RO-CrateResearch Object Crate format (FAIR data packaging)ELN-Filetype is based on RO-Crate; anchor in oco-investigation
Materials ProjectDFT data corpus, LBNLexternal cache of ~155,000 entries (layer 2 Energy/DFT)
OPTIMADECross-database API for material structure searchlookup bridge for structure search API fields
Croissant (MLCommons)ML-ready dataset metadata standardbridge for ML application view over materials data
QUDTQuantity/Unit/Dimension/Type ontologyL0 anchor for all physical units and measurement parameters
PROV-OW3C Provenance OntologyL0 anchor for any provenance annotation
schema.orgstructured-data web standardequipment, identifier, organisation bridge
ROR / ORCIDResearch Organisation Registry / Open Researcher IDactor identifier bridge
NFDIcoreNFDI Common Ontologycross-NFDI consortium bridge

829 explicit cross-ontology mappings across 40 sections are maintained in bridge_mappings.yaml and mwo_mappings.yaml as single sources of truth. Each bridge section is independently versionable — if PMDco bumps a version, exactly one bridge file changes.

SIPOC fragment ABox model — reality tolerance instead of schema tyranny

Real experiment data is never complete. With own experiments completeness can at least be aspired to; with published literature and patents, incompleteness is often deliberate (competitive or patent strategy). A schema that mandates complete fields would either reject most real-world data or force placeholder fabrication — both unacceptable.

OCO ingests ABox data as SIPOC fragments (Suppliers / Inputs / Process / Outputs / Customers). The SIPOC granularity combined with the three-tier identifier hierarchy (mandatory / recommended / optional) accommodates incomplete data without breaking the schema. This makes OCO practically usable for the two dominant data sources — own lab data and literature extraction.

Concretely: a sintering experiment batch does not need to have all 47 possible parameters filled in. A SIPOC fragment with a process step + two output identifiers is enough for a valid ABox position. The missing fields are not imputed, not hallucinated, but annotated as “not recorded”.

Reuse-before-invention — the discipline in numbers

Before any new class or property is modelled into OCO, a checklist runs:

  1. Is there already a fitting OCO class?
  2. External identifier? → sub-class of oco-identifier:Identifier.
  3. Provenance? → PROV-O.
  4. Unit? → QUDT QuantityValue.

In the most recent interop wave this checklist reduced 18 candidate properties to 0 and 15 candidate classes to 5. This is not austerity — this is avoidance of pseudo-innovation that would later cause cross-mapping work.

In practice that means: if you pull OCO into a LIMS/ELN pipeline, the likelihood is high that every class you already know (sample, sensor, measurement, person) already has its OCO bridge to the standard you work with.

The PMD consortium context — why OCO ends the duplication

In the PMD consortium (Platform MaterialDigital) more than a dozen projects are active, each with its own material-specific ontology: KupferDigital, GlasDigital, StahlDigital, DiProMag, iBain, KnowNow, Mieller-Ferrit, SmaDi and others. The problem: only a fraction of the modelled content is actually material-specific (the material class hierarchy). The largest part — workflow provenance, equipment, methods, identifier schemes — is material-agnostic and shareable.

OCO is built to end this duplication structurally: L0+L1 is the shared vocabulary, L2 is the material-specific layer that sister projects can replace (polymers, metallurgy, batteries) without re-modelling L0+L1. A polymer L2 replaces the ceramics L2 — the equipment, sample, provenance, identifier classes stay unchanged and shared.

Example competency questions

Six of the 163 published CQs that are particularly relevant for LIMS/ELN integrators. Tag column = OCO module that answers the question.

Which ELN-Filetype fields can be mapped automatically to OCO-L1, and which need to be enriched per vendor?

oco_eln_profile · bridge/eln_filetype

What is the minimal-valid SIPOC fragment template for a sintering experiment (stage 1: mandatory only)?

oco-process · oco-identifier

Which PMDco class corresponds to “sample” in our Chemotion ELN export?

oco-sample · PMDco bridge

Which provenance chain documents batch X from powder delivery to sintered specimen?

oco-investigation · PROV-O · executable SPARQL

Which equipment anchors apply to a differential scanning calorimeter from CHMO and PMDco?

oco-equipment · CHMO bridge · PMDco bridge

Which QUDT unit applies to the measurement position “Curie temperature”, and how is the uncertainty annotated?

oco-measurement · QUDT bridge

Relation to the OCO distribution

The LIMS/ELN baseline — L1 skeletons (sample, equipment, measurement, identifier, process, investigation) plus tensor roots, role individuals, and cross-axioms — is publicly available under CC-BY-SA 4.0. The L0 bridges to PMDco, CHMO, OBI, schema.org, QUDT, PROV-O, ELN-Filetype, RO-Crate, Croissant, OPTIMADE are freely available under CC-BY 4.0. oco-supplier, the material-detail L2, and the compliance modules are proprietary — but you can run the full LIMS/ELN stack without them. The bundle “LIMS/ELN-Ready” (L0+L1 without supplier) is downloadable with registration. → Distribution & licence architecture

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The four distribution variants and their terms — what’s public, what’s on request.

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