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Slot: other_identifier

This slot is described in more detail within the class in which it is used.

URI: adms:identifier Alias: other_identifier

Applicable Classes

Name Description Modifies Slot
Reagent A ChemicalSubstance that is consumed or transformed in a ChemicalReaction. no
Precursor A MaterialSample that serves as input material in a catalyst Synthesis.
Precursors are consumed or transformed during the preparation process.		 no
Microreactor Microreactor — a miniaturised flow reactor with characteristic dimensions
in the sub-millimetre range, enabling precise thermal control and rapid
screening.		 no
ReactionMonitoring A DataGeneratingActivity that produces data about a ChemicalReaction, such as reaction monitoring, experimental documentation, or a combined recording-and-evaluation workflow. This is a coarse-grained convenience shape that does not distinguish between raw experimental recording and subsequent data evaluation. Domain-specific sub-profiles that need this distinction should define their own DataGeneratingActivity subclasses and use the DCAT-AP+ DataAnalysis chain to separate raw data from derived results. no
PlugFlowReactor Plug flow reactor (PFR) — a tubular reactor in which reactant composition
varies along the axis with no axial mixing.		 no
FluidizedBedReactor Fluidized bed reactor — a reactor in which the catalyst particles are
suspended in an upward-flowing gas or liquid stream.		 no
Device A material instrument that is designed to perform a function primarily by means of its mechanical or electrical nature. yes
EvaluatedEntity An Entity that is being evaluated in a DataGeneratingActivity. yes
Synthesis A DataGeneratingActivity in which a catalyst is prepared.

The preparation protocol is linked via realized_plan using a
PreparationMethod instance. Input materials (Precursors) are linked via
had_input_entity. The resulting catalyst (CatalystSample) is linked via
had_output_entity.

The type of synthesis is further specified via rdf_type using an ontology
term (e.g. a VOC4CAT preparation method term), following DCAT-AP-PLUS
Pattern 3.		 no
Simulation A DataGeneratingActivity in which a catalyst, catalytic material, or
catalytic process is modelled computationally.

The simulation software is linked via carried_out_by as a Software agent.
The simulation method (protocol) is linked via realized_plan using a
SimulationMethod instance. The catalyst model or reaction being simulated
is linked via evaluated_entity or evaluated_activity.

The specific simulation type is expressed via rdf_type (e.g. coremeta4cat:DFT,
NCIT:C18097 for molecular dynamics), following DCAT-AP-PLUS Pattern 3.		 no
Entity A physical, digital, conceptual, or other kind of thing with some fixed aspects; entities may be real or imaginary. yes
SlurryReactor Slurry reactor — a three-phase reactor in which catalyst particles are
suspended in a liquid phase through which gas is bubbled.		 no
Dataset A collection of data, published or curated by a single agent, and available for access or download in one or more representations. yes
CSTR Continuous stirred tank reactor (CSTR) — a well-mixed, continuous-flow
reactor operating at steady state.		 no
SubstanceSampleCharacterizationDataset A Dataset about a SubstanceSample that was produced by a SubstanceSampleCharacterization activity. This is a coarse-grained convenience shape that conflates measurement and analysis into a single data-generating activity. Domain-specific sub-profiles that need to distinguish raw measurement from post-processing or structure assignment should define their own Dataset subclasses, potentially using the DCAT-AP+ DataAnalysis/AnalysisDataset chain instead of reusing this class. no
Characterization A DataGeneratingActivity in which a catalyst sample or catalytic material
is characterized using an analytical technique.

The catalyst sample being characterized is linked via evaluated_entity.
The analytical protocol is linked via realized_plan using a
CharacterizationTechnique instance. The instrument used is linked via
carried_out_by as a Device.

The specific technique type is expressed via rdf_type using an ontology
term (e.g. CHMO:0000158 for powder XRD, CHMO:0000404 for XPS),
following DCAT-AP-PLUS Pattern 3 — exactly as NMRSpectroscopy uses
rdf_type: CHMO:0000613.		 no
CatalysisDataGeneratingActivity A CoreMeta4Cat specialization of DCAT-AP-PLUS's DataGeneratingActivity
that adds a type designator (activity_designator). Synthesis,
Characterization, and Simulation all specialize this class instead of
DataGeneratingActivity directly, so that when one of them is nested
inside CatalysisDataset.was_generated_by, the LinkML Python loader can
tell which concrete subclass a given entry is meant to be and keep its
subclass-specific fields (e.g. Characterization.realized_plan) rather
than falling back to DataGeneratingActivity's own generic slot
definitions.

activity_designator is filled in automatically by LinkML when a class
is instantiated directly (e.g. loading a standalone Synthesis-NNN.yaml
file) -- it does not need to be set by hand there. It only needs to be
set explicitly in the source data when a Synthesis/Characterization/
Simulation instance is nested inside another object's was_generated_by
list (e.g. in a combined CatalysisDataset file), so the loader knows
which of the three to construct.		 no
MaterialSample A Sample that was derived from a previous MaterialSample or some other kind of MaterialEntity. no
DissolvingSubstance A liquid ChemicalSubstance that dissolves or that is capable of dissolving a ChemicalSubstance. no
AnalysisDataset A Dataset that was generated by an analysis of some previously generated data. For example, a dataset that contains the data of an assignment of a chemical structure to a sample based on the spectral data obtained from the sample is an AnalyticalDataset. no
DataAnalysis An Activity that evaluates the data produced by another Activity. no
FixedBedReactor Fixed bed reactor — a tubular reactor packed with a stationary catalyst bed.
The most common reactor type in heterogeneous catalysis testing.		 no
AnalysisSourceData Information that was evaluated within a DataAnalysis. no
SubstanceSample A MaterialSample derived from a chemical substance that is of interest in an analytical procedure. no
CatalystSample A MaterialSample that is the product of a catalyst Synthesis.
The specific type of catalyst (e.g. heterogeneous, supported metal)
is expressed via rdf_type using a VOC4CAT term.		 no
Software An instrument composed of a series of instructions that can be interpreted by or directly executed by a computer. yes
Activity See DCAT-AP specs:Activity yes
Atom An Entity constituting the smallest component of a chemical element having the chemical properties of the element. no
CatalyticReaction A ChemicalReaction (chemdcat-ap) specialization representing the
catalytic reaction being studied. Inherits the generic reaction slots
(starting materials, reactants, products, catalyst, solvent, reactor,
temperature, pressure, yield, reaction steps) from ChemicalReaction and
adds catalysis-specific operating-condition slots.

Reaction is NOT a DataGeneratingActivity — it is the catalytic process
being observed, not the process that generates the dataset. A CatalysisDataset
is linked to the Reaction it is about via is_about_activity.

For operando experiments (e.g. in-situ XRD during a reaction), the dataset
carries both:
was_generated_by: Characterization (the measurement producing data)
is_about_activity: Reaction (the catalytic process being monitored)

The reactor is linked via the inherited used_reactor slot (is_a:
carried_out_by), narrowed here to require a ChemicalReactor instance
rather than touching the generic carried_out_by relation directly.
Reactants are linked via the inherited used_reactant slot (range:
Reagent) -- CatalyticReaction does not declare its own reactant slot.
The type of catalytic reaction (e.g. ammonia synthesis, CO oxidation)
is expressed via rdf_type using a voc4cat or ChemO term.		 no
Catalyst A ChemicalSubstance or MaterialEntity that initiates or accelerates a ChemicalReaction without itself being affected. no
Autoclave Autoclave reactor — a sealed pressure vessel for batch reactions at
elevated temperature and/or pressure.		 no
ChemicalEntity Any constitutionally or isotopically distinct atom, molecule, ion, ion pair, radical, radical ion, complex, conformer etc., identifiable as a separately distinguishable entity. no
EvaluatedActivity An activity or process that is being evaluated in a DataGeneratingActivity. yes
ChemicalReaction A process that leads to the transformation of one set of chemical substances to another and that is the subject matter of a DataGeneratingActivity. no
SubstanceSampleCharacterization A DataGeneratingActivity that produces data about a SubstanceSample, such as a spectroscopic measurement, a physical property determination, or a combined measurement-and-analysis workflow. This is a coarse-grained convenience shape that does not distinguish between raw data acquisition and subsequent data processing or analysis. Domain-specific sub-profiles that need this distinction should define their own DataGeneratingActivity subclasses and use the DCAT-AP+ DataAnalysis chain to separate raw measurement from derived results. no
AgenticEntity An entity that is somehow responsible for an Activity to take place. yes
CatalysisDataset A dcat:Dataset that contains research data in the field of catalysis.

The catalysis research field is expressed via rdf_type using a voc4cat
term from CatalysisResearchFieldEnum (following DCAT-AP-PLUS Pattern 3).
For example, a dataset from heterogeneous catalysis research would carry:
rdf_type:
id: VOC4CAT:0007001
title: "heterogeneous catalysis"

The four CoreMeta4Cat minimum information pillars are linked via the slots
below, each pointing to the corresponding DataGeneratingActivity or
EvaluatedActivity subclass defined in the CoreMeta4Cat subprofile modules.		 no
Reactor A reactor is a container for controlling a biological or chemical reaction or process. no
MaterialEntity A material is an Entity that has some portion of matter as proper part. no
DataGeneratingActivity An Activity (process) that has the objective to produce information (in form of a dataset) about another Activity or Entity. no
PolymerSample A SubstanceSample derived from a Polymer. no
ReactionMonitoringDataset A Dataset about a ChemicalReaction that was produced by a ReactionMonitoring activity. This is a coarse-grained convenience shape that conflates experimental documentation and analysis into a single data-generating activity. Domain-specific sub-profiles that need to distinguish reaction monitoring from subsequent data evaluation should define their own Dataset subclasses, potentially using the DCAT-AP+ DataAnalysis/AnalysisDataset chain instead of reusing this class. no
ElectrochemicalReactor Electrochemical reactor used in electrocatalytic experiments, including
H-cells, flow cells, and membrane electrode assemblies.		 no
ChemicalReactor Abstract Reactor (chemdcat-ap) subclass representing a catalytic reactor
vessel.

Reactor is more specific than the general Device (AgenticEntity): it restricts
the used_reactor relation (is_a: carried_out_by) on Reaction to dedicated
reactor equipment. This semantic distinction separates analytical
instruments (Device) from reaction vessels (Reactor). ChemicalReactor
further specializes chemdcat-ap's generic Reactor for catalysis use cases.

Concrete subclasses (FixedBedReactor, CSTR, PlugFlowReactor, …) specify
reactor geometry and operating mode.
Linked from Reaction via used_reactor (restricted to range: ChemicalReactor).		 no
StartingMaterial A ChemicalSubstance with that has a starting material role in a synthesis. no
ChemicalProduct A chemical substance that is produced by a ChemicalReaction. no

Properties

Identifier and Mapping Information

Schema Source

Mappings

Mapping Type Mapped Value
self adms:identifier
native coremeta4cat:other_identifier

LinkML Source

name: other_identifier
description: This slot is described in more detail within the class in which it is
  used.
from_schema: https://w3id.org/nfdi4cat/coremeta4cat
rank: 1000
slot_uri: adms:identifier
alias: other_identifier
domain_of:
- Activity
- AgenticEntity
- Dataset
- Entity
range: string