Slot: has_quantitative_attribute

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

URI: dcterms:relation Alias: has_quantitative_attribute

Inheritance

• has_quantitative_attribute
  • has_flow_rate
  • has_heating_rate
  • has_angular_velocity
  • has_energy
  • has_electric_potential
  • has_power
  • has_length
  • has_plane_angle
  • has_wavenumber_quantity
  • has_mz_quantity
  • has_calcination_temperature_range
  • number_of_cycles
  • step_size
  • resolution
  • number_of_scans
  • hydrolysis_ratio
  • filling_volume
  • fuel_to_oxidizer_ratio
  • pulse_time
  • purging_duration
  • power
  • microwave_frequency
  • sonication_power
  • sonication_duration
  • capillary_pressure
  • fuel_dispersant_ratio
  • vessel_volume
  • milling_speed
  • milling_duration
  • ball_size
  • ball_to_powder_ratio
  • crystallisation_duration
  • temperature_ramp
  • has_energy_range
  • magnification_setting
  • has_temperature_range
  • has_mz_range
  • has_two_theta_range
  • noise_of_measurement
  • has_wavenumber_range
  • ratio_reference_sample
  • irradiation_frequency
  • image_resolution
  • detection_limit
  • wavelength_range
  • path_length
  • slit_width
  • number_of_shots
  • scan_rate
  • scan_potential_range
  • step_size_potential
  • ac_frequency
  • refractive_index
  • oven_temperature_range
  • solvent_delay
  • split_ratio
  • has_yield
  • has_molar_equivalent
  • has_percentage_of_total
  • reactor_temperature_range
  • feed_composition_range
  • has_active_area
  • faradaic_current
  • number_of_tubes
  • gas_liquid_ratio
  • number_of_channels
  • bed_expansion_height
  • has_concentration
  • has_amount
  • has_ph_value
  • has_temperature
  • has_mass
  • has_volume
  • has_density
  • has_pressure
  • energy_cutoff
  • total_energy_per_atom
  • simulation_timestep
  • simulation_time
  • number_of_atoms
  • surface_coverage
  • activation_energy
  • number_of_steps
  • equilibration_steps
  • sampling_interval
  • formation_energy
  • energy_above_hull
  • strain_applied
  • bulk_modulus
  • shear_modulus
  • poisson_ratio
  • young_modulus
  • surface_energy
  • slab_thickness
  • vacuum_spacing
  • smearing_parameter
  • pressure_derivative
  • fit_residuals
  • ionic_strength
  • misorientation_angle
  • grain_boundary_energy
  • gb_excess_volume
  • fermi_energy
  • spontaneous_polarization
  • switching_barrier
  • coercive_field
  • smearing_broadening
  • experimental_reference
  • excitonic_correction

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

• Range: QuantitativeAttribute

• Multivalued: True

• Recommended: True

Identifier and Mapping Information

Schema Source

• from schema: https://w3id.org/nfdi4cat/coremeta4cat

Mappings

Mapping Type	Mapped Value
self	dcterms:relation
native	coremeta4cat:has_quantitative_attribute

LinkML Source

name: has_quantitative_attribute
description: The slot to relate a quantitative 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_quantitative_attribute
domain_of:
- Activity
- AgenticEntity
- Entity
range: QuantitativeAttribute
recommended: true
multivalued: true
inlined: true
inlined_as_list: true