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Slot: has_qualitative_attribute

The slot to relate a qualitative attribute to an EvaluatedEntity, EvaluatedActivity or AgenticEntity

URI: dcterms:relation Alias: has_qualitative_attribute

Inheritance

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. no
EvaluatedEntity An Entity that is being evaluated in a DataGeneratingActivity. no
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. no
SlurryReactor Slurry reactor — a three-phase reactor in which catalyst particles are
suspended in a liquid phase through which gas is bubbled.		 no
CSTR Continuous stirred tank reactor (CSTR) — a well-mixed, continuous-flow
reactor operating at steady state.		 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
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. no
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. no
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. 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
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 dcterms:relation
native coremeta4cat:has_qualitative_attribute

LinkML Source

name: has_qualitative_attribute
description: The slot to relate a qualitative attribute to an EvaluatedEntity, EvaluatedActivity
  or AgenticEntity
in_subset:
- domain_agnostic_core
from_schema: https://w3id.org/nfdi4cat/coremeta4cat
rank: 1000
slot_uri: dcterms:relation
alias: has_qualitative_attribute
domain_of:
- Activity
- AgenticEntity
- Entity
range: QualitativeAttribute
recommended: true
multivalued: true
inlined: true
inlined_as_list: true