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DCAT-AP-PLUS Lab Data Profile

An extension of ChemDCAT-AP describing laboratory synthesis and sample preparation workflow metadata for ELN-style datasets.

URI: https://w3id.org/nfdi-de/dcat-ap-plus/labdata/

Name: dcat-p-lab

Classes

Class Description
Activity See [DCAT-AP specs:Activity](https://semiceu
        ChemicalReaction A process that leads to the transformation of one set of chemical substances ...
        DataGeneratingActivity An Activity (process) that has the objective to produce information (in form ...
                DataAnalysis An Activity that evaluates the data produced by another Activity
                LabSynthesisActivity A DataGeneratingActivity that describes a laboratory synthesis or sample prep...
        EvaluatedActivity An activity or process that is being evaluated in a DataGeneratingActivity
                LabSynthesisStep An abstract base class for individual steps in a laboratory synthesis workflo...
                        AtmosphereChangeStep A step that modifies the atmosphere of the reaction vessel (ChangeAtmosphere ...
                        ContinuousAdditionStep A step in which compounds enter the reaction repeatedly or continuously (Cont...
                        GrindingStep A step in which the material is ground or milled (Grind action)
                        MaterialAdditionStep A step in which a material is added to the reaction mixture (Add action)
                        RecipientChangeStep A step that modifies the reaction vessel (ChangeRecipient action)
                        RepetitionBlock A wrapper block grouping one or more steps that are executed a number of time...
                        SeparationStep A step in which phases of the reaction mixture are separated (Separate action...
                        SievingStep A step in which solid material is screened by particle size (Sieve action)
                        SolutionPreparationStep A step that initialises a new solution or reaction vessel (NewSolution action...
                        StirringStep A step in which the reaction mixture is stirred (Stir action)
                        SubProductCreationStep A step marking the point where a by-product diverges from the main synthesis ...
                        TemperatureChangeStep A step that changes the temperature of the reaction mixture (ChangeTemperatur...
                        WaitingStep A step in which the reaction mixture is allowed to rest for a defined duratio...
                        WashingStep A step in which the separated material is washed with a solvent (Wash action)
Agent See [DCAT-AP specs:Agent](https://semiceu
AgenticEntity An entity that is somehow responsible for an Activity to take place
        Catalyst A ChemicalSubstance or MaterialEntity that initiates or accelerates a Chemica...
        Device A material instrument that is designed to perform a function primarily by mea...
                Reactor A reactor is a container for controlling a biological or chemical reaction or...
        DissolvingSubstance A liquid ChemicalSubstance that dissolves or that is capable of dissolving a ...
        Software An instrument composed of a series of instructions that can be interpreted by...
Any This abstract class is needed to create the union of Dataset, DatasetSeries, ...
Catalogue See [DCAT-AP specs:Catalogue](https://semiceu
CatalogueRecord See [DCAT-AP specs:CatalogueRecord](https://semiceu
Checksum See [DCAT-AP specs:Checksum](https://semiceu
ClassifierMixin A mixin with which an entity of this schema can be classified via an addition...
DataService See [DCAT-AP specs:DataService](https://semiceu
Dataset A collection of data, published or curated by a single agent, and available f...
        AnalysisDataset A Dataset that was generated by an analysis of some previously generated data
DatasetSeries See [DCAT-AP specs:DatasetSeries](https://semiceu
DefinedTerm A word, name, acronym or phrase that is defined in a controlled vocabulary (C...
Distribution See [DCAT-AP specs:Distribution](https://semiceu
Entity A physical, digital, conceptual, or other kind of thing with some fixed aspec...
        EvaluatedEntity An Entity that is being evaluated in a DataGeneratingActivity
                AnalysisSourceData Information that was evaluated within a DataAnalysis
                MaterialSample A Sample that was derived from a previous MaterialSample or some other kind o...
                        IntermediateSolution A MaterialSample representing an intermediate product of a synthesis workflow...
        MaterialEntity A material is an Entity that has some portion of matter as proper part
                ChemicalEntity Any constitutionally or isotopically distinct atom, molecule, ion, ion pair, ...
                        Atom A MaterialEntity constituting the smallest component of an element having the...
                ChemicalSubstance A MaterialEntity of constant composition, composed of chemical entities of th...
                        ChemicalProduct A chemical substance that is produced by a ChemicalReaction
                        Polymer A ChemicalSubstance that is composed of macromolecules of different kinds and...
                        Reagent A ChemicalSubstance that is consumed or transformed in a ChemicalReaction
                        StartingMaterial A ChemicalSubstance with that has a starting material role in a synthesis
Kind See [DCAT-AP specs:Kind](https://semiceu
Location See [DCAT-AP specs:Location](https://semiceu
Materialistic A LinkML mixin used to pass down properties common to all material entities
Plan A piece of information that specifies how an activity has to be carried out b...
QualitativeAttribute A piece of information that is attributed to an Entity, Activity or AgenticEn...
        InChi A structure descriptor which conforms to the InChI format specification
        InChIKey
        IUPACName A systematic name which is formulated according to the rules and recommendati...
        MolecularFormula A structure descriptor which identifies each constituent element by its chemi...
        SMILES A structure descriptor that denotes a molecular structure as a graph and conf...
QuantitativeAttribute A quantifiable piece of information that is attributed to an Entity, Activity...
        AmountOfSubstance The total amount of substance used in a ChemicalReaction
        Concentration A QuantitativeAttribute of a ChemicalSubstance that represents the amount of ...
        Density A measure of the mass per unit volume of a substance
        Duration A QuantitativeAttribute expressing a time duration for a synthesis step (e
        FlowRate A QuantitativeAttribute expressing a volumetric flow rate of gas (e
        HeatRamp A QuantitativeAttribute expressing the rate of temperature increase (e
        Mass The strength of a body's gravitational attraction to other bodies
                MolarMass A Mass (physical quality) that quantifies the mass of a homogeneous ChemicalS...
        MicrowavePower A QuantitativeAttribute expressing the microwave power used in a TemperatureC...
        MolarEquivalent A dimensionless ratio that quantifies the stoichiometric proportion of a chem...
        ParticleSize A QuantitativeAttribute expressing a particle size used in a SievingStep (e
        PercentageOfTotal A dimensionless ratio that quantifies the stoichiometric proportion of a chem...
        PHValue
        Pressure
        StirringSpeed A QuantitativeAttribute expressing the rate of stirring (e
        Temperature A physical quantity that quantitatively expresses the attribute of hotness or...
        Volume A measure of regions in three-dimensional space
        Yield A dimensionless physical quantity describing the fraction of a product B that...
Relationship See [DCAT-AP specs:Relationship](https://semiceu
SupportiveEntity The supportive entities are supporting the main entities in the Application P...
        Attribution See [DCAT-AP specs:Attribution](https://semiceu
        ChecksumAlgorithm See [DCAT-AP specs:ChecksumAlgorithm](https://semiceu
        Concept See [DCAT-AP specs:Concept](https://semiceu
        ConceptScheme See [DCAT-AP specs:ConceptScheme](https://semiceu
        Document See [DCAT-AP specs:Document](https://semiceu
        Frequency See [DCAT-AP specs:Frequency](https://semiceu
        Geometry See [DCAT-AP specs:Geometry](https://semiceu
        Identifier See [DCAT-AP specs:Identifier](https://semiceu
        LegalResource See [DCAT-AP specs:LegalResource](https://semiceu
        LicenseDocument See [DCAT-AP specs:LicenseDocument](https://semiceu
        LinguisticSystem See [DCAT-AP specs:LinguisticSystem](https://semiceu
        MediaType See [DCAT-AP specs:MediaType](https://semiceu
        MediaTypeOrExtent See [DCAT-AP specs:MediaTypeOrExtent](https://semiceu
        PeriodOfTime See [DCAT-AP specs:PeriodOfTime](https://semiceu
        Policy See [DCAT-AP specs:Policy](https://semiceu
        ProvenanceStatement See [DCAT-AP specs:ProvenanceStatement](https://semiceu
        Resource See [DCAT-AP specs:Resource](https://semiceu
        RightsStatement See [DCAT-AP specs:RightsStatement](https://semiceu
        Role See [DCAT-AP specs:Role](https://semiceu
        Standard See [DCAT-AP specs:Standard](https://semiceu
        TimeInstant See [DCAT-AP specs:TimeInstant](https://semiceu
Surrounding The surrounding in which the dataset creating activity took place (e
        Laboratory A facility that provides controlled conditions in which scientific or technol...

Slots

Slot Description
access_rights This slot is described in more detail within the class in which it is used
access_service This slot is described in more detail within the class in which it is used
access_URL This slot is described in more detail within the class in which it is used
addition_type The mode of material addition in a MaterialAdditionStep (Normal, Dropwise, or...
algorithm This slot is described in more detail within the class in which it is used
alternative_label The slot to specify an alternative label, name or title for a MaterialEntity
applicable_legislation This slot is described in more detail within the class in which it is used
application_profile This slot is described in more detail within the class in which it is used
availability This slot is described in more detail within the class in which it is used
bbox This slot is described in more detail within the class in which it is used
beginning This slot is described in more detail within the class in which it is used
byte_size This slot is described in more detail within the class in which it is used
carried_out_by The slot to specify the AgenticEntity that played a certain part in carrying ...
catalogue This slot is described in more detail within the class in which it is used
centroid This slot is described in more detail within the class in which it is used
change_type This slot is described in more detail within the class in which it is used
checksum This slot is described in more detail within the class in which it is used
checksum_value This slot is described in more detail within the class in which it is used
composed_of The slot to provide the chemical entities of which a ChemicalSubstance is com...
compression_format This slot is described in more detail within the class in which it is used
conforms_to This slot is described in more detail within the class in which it is used
contact_point This slot is described in more detail within the class in which it is used
continuous_addition_type Whether the addition is continuous or delivered in discrete intervals
creator This slot is described in more detail within the class in which it is used
dataset_distribution This slot is described in more detail within the class in which it is used
derived_from The slot to specify the Entity from which a Sample was derived
description This slot is described in more detail within the class in which it is used
documentation This slot is described in more detail within the class in which it is used
download_URL This slot is described in more detail within the class in which it is used
end This slot is described in more detail within the class in which it is used
end_date This slot is described in more detail within the class in which it is used
endpoint_description This slot is described in more detail within the class in which it is used
endpoint_URL This slot is described in more detail within the class in which it is used
evaluated_activity The slot to specify the Activity about which the DataGeneratingActivity produ...
evaluated_entity The slot to specify the Entity about which the DataGeneratingActivity produce...
format This slot is described in more detail within the class in which it is used
frequency This slot is described in more detail within the class in which it is used
from_CV The URL of the controlled vocabulary
generated_product The slot to specify the Product of a ChemicalReaction
geographical_coverage This slot is described in more detail within the class in which it is used
geometry This slot is described in more detail within the class in which it is used
had_input_activity The slot to provide a previous Activity that informed the Activity by being c...
had_input_entity The slot to specify the Entity that was used as an input of an Activity that ...
had_output_entity The slot to specify the Entity that was generated as an output of an Activity
had_role This slot is described in more detail within the class in which it is used
has_added_material The material added in a MaterialAdditionStep
has_amount The slot to provide the AmountConcentration of a ChemicalSubstance
has_atmosphere_type The atmosphere type(s) set in an AtmosphereChangeStep
has_concentration The slot to provide the Concentration of a ChemicalSubstance
has_dataset This slot is described in more detail within the class in which it is used
has_density The slot to provide the Density of a MaterialEntity
has_duration A slot to provide the duration of a ChemicalReaction
has_flow_rate The gas flow rate in an AtmosphereSettingStep
has_heat_ramp The rate of temperature increase in a TemperatureChangeStep
has_initial_material The starting MaterialEntity for a SolutionPreparationStep or the reference ma...
has_intermittent_amount Amount added per interval in an intermittent ContinuousAdditionStep
has_mass The slot to provide the Mass of a MaterialEntity
has_maximum_particle_size The maximum particle size passed through the sieve in a SievingStep
has_microwave_power The microwave power applied in a TemperatureChangeStep (only when heating_pro...
has_minimum_particle_size The minimum particle size passed through the sieve in a SievingStep
has_molar_equivalent A slot to provide the MolarEquivalent of a ChemicalSubstance, such as the Dis...
has_molar_mass The slot to provide the MolarMass of a ChemicalEntity
has_open_flame Whether an open flame was present during a MaterialAdditionStep
has_part This slot is described in more detail within the class in which it is used
has_percentage_of_total A slot to specify the percentage of a specific ChemicalSubstance in relation ...
has_ph_value The slot to provide the PHValue of a ChemicalSubstance
has_physical_state The slot to specify the physical state of a MaterialEntity
has_policy This slot is described in more detail within the class in which it is used
has_pressure The slot to provide the Pressure of a MaterialEntity
has_qualitative_attribute The slot to relate a qualitative attribute to an EvaluatedEntity, EvaluatedAc...
has_quantitative_attribute The slot to relate a quantitative attribute to an EvaluatedEntity, EvaluatedA...
has_quantity_type The type of quality that is quantifiable according to the QUDT ontology
has_reaction_step A slot to specify a step (part) of a ChemicalReaction that is itself a Chemic...
has_recipient_type The type of reaction vessel used in a RecipientChangeStep
has_step_duration The duration of a synthesis step
has_stirring_speed The stirring speed in a StirringStep
has_subproduct The by-product material created or separated in a SubProductCreationStep
has_successor_step Forward pointer from a LabSynthesisStep to the step(s) that follow it
has_synthesis_step Links a LabSynthesisActivity to its constituent LabSynthesisSteps
has_target_temperature The numeric target temperature of a TemperatureChangeStep (e
has_temperature The slot to provide the Temperature of a MaterialEntity
has_version This slot is described in more detail within the class in which it is used
has_vessel_material The material of the reaction vessel in a RecipientChangeStep
has_vessel_volume The volume capacity of the reaction vessel in a RecipientChangeStep
has_volume The slot to provide the Volume of a MaterialEntity
has_yield A slot to provide the percentage of how much of the ChemicalProduct was produ...
heating_process The heating or cooling process used in a TemperatureChangeStep
homepage This slot is described in more detail within the class in which it is used
id A slot to provide an URI for an entity within this schema
identifier This slot is described in more detail within the class in which it is used
in_series This slot is described in more detail within the class in which it is used
inchi The slot to provide the InChi descriptor of a ChemicalEntity
inchikey The slot to provide the InChiKey of a ChemicalEntity
is_about_activity A slot to provide the EvaluatedActivity a Dataset is about
is_about_entity A slot to provide the EvaluatedEntity a Dataset is about
is_referenced_by This slot is described in more detail within the class in which it is used
iupac_name The slot to provide the IUPAC name of a ChemicalEntity
keyword This slot is described in more detail within the class in which it is used
landing_page This slot is described in more detail within the class in which it is used
language This slot is described in more detail within the class in which it is used
licence This slot is described in more detail within the class in which it is used
linked_schemas This slot is described in more detail within the class in which it is used
listing_date This slot is described in more detail within the class in which it is used
media_type This slot is described in more detail within the class in which it is used
modification_date This slot is described in more detail within the class in which it is used
molecular_formula The slot to provide the IUPAC formula of a ChemicalEntity
name This slot is described in more detail within the class in which it is used
notation This slot is described in more detail within the class in which it is used
occurred_in The slot to specify the Surrounding in which an Activity took place
other_identifier This slot is described in more detail within the class in which it is used
packaging_format This slot is described in more detail within the class in which it is used
part_of A slot to specify a related resource in which the described resource is physi...
phase_to_keep The phase retained after a SeparationStep (e
preferred_label This slot is described in more detail within the class in which it is used
primary_topic This slot is described in more detail within the class in which it is used
provenance This slot is described in more detail within the class in which it is used
publisher This slot is described in more detail within the class in which it is used
qualified_attribution This slot is described in more detail within the class in which it is used
qualified_relation This slot is described in more detail within the class in which it is used
rdf_type The slot to specify the ontology class that is instantiated by an entity
realized_plan The slot to specify the Plan (i
record This slot is described in more detail within the class in which it is used
related_resource This slot is described in more detail within the class in which it is used
relation This slot is described in more detail within the class in which it is used
release_date This slot is described in more detail within the class in which it is used
repetition_count Total number of times the steps in a RepetitionBlock were executed
rights This slot is described in more detail within the class in which it is used
sample This slot is described in more detail within the class in which it is used
serves_dataset This slot is described in more detail within the class in which it is used
service This slot is described in more detail within the class in which it is used
smiles The slot to provide the canonical SMILES descriptor of a ChemicalEntity
source This slot is described in more detail within the class in which it is used
source_metadata This slot is described in more detail within the class in which it is used
spatial_resolution This slot is described in more detail within the class in which it is used
start_date This slot is described in more detail within the class in which it is used
status This slot is described in more detail within the class in which it is used
stirring_type Whether stirring is performed manually or by an automatic device in a Stirrin...
temperature_target_type Qualitative temperature target for a TemperatureChangeStep, used when a numer...
temporal_coverage This slot is described in more detail within the class in which it is used
temporal_resolution This slot is described in more detail within the class in which it is used
theme This slot is described in more detail within the class in which it is used
themes This slot is described in more detail within the class in which it is used
title This slot is described in more detail within the class in which it is used
type This slot is described in more detail within the class in which it is used
unit
used_catalyst The slot to specify the Catalyst of a ChemicalReaction
used_reactant The slot to specify the Reagent(s) of a ChemicalReaction
used_reactor The slot to specify the reactor used in a ChemicalReaction
used_solvent The slot to specify the chemical substance that had a solvent role (CHEBI:352...
used_starting_material The slot to specify the Reagent(s) of a ChemicalReaction
uses_separation_method The separation method used in a SeparationStep
uses_washing_material The washing solvent or material used in a WashingStep
uses_washing_method The washing method used in a WashingStep
value A slot to provide the literal value of an attribute
version This slot is described in more detail within the class in which it is used
version_notes This slot is described in more detail within the class in which it is used
was_generated_by This slot is described in more detail within the class in which it is used

Enumerations

Enumeration Description
AdditionTypeEnum Controlled vocabulary for the mode of addition in a MaterialAdditionStep
AtmosphereTypeEnum Controlled vocabulary for atmosphere types in AtmosphereChangeStep
ContinuousAdditionTypeEnum Controlled vocabulary for addition modes in ContinuousAdditionStep
DatasetThemes
HeatingProcessEnum Controlled vocabulary for heating/cooling processes in TemperatureChangeStep
PhysicalStateEnum
QUDTQuantityKindEnum Possible kinds of quantifiable attribute types provided as QUDT QualityKind i...
QUDTUnitEnum Possible kinds of QUDT unit instances
RecipientTypeEnum Controlled vocabulary for reaction vessel types in RecipientChangeStep
SeparationMethodEnum Controlled vocabulary for separation methods used in SeparationStep
StirringTypeEnum Controlled vocabulary for stirring modes in StirringStep
TemperatureTargetTypeEnum Qualitative temperature targets for TemperatureChangeStep, for cases where a ...
TopLevelMediaTypes
VesselMaterialEnum Controlled vocabulary for vessel materials in RecipientChangeStep

Types

Type Description
Boolean A binary (true or false) value
Curie a compact URI
Date a date (year, month and day) in an idealized calendar
DateOrDatetime Either a date or a datetime
Datetime The combination of a date and time
Decimal A real number with arbitrary precision that conforms to the xsd:decimal speci...
Double A real number that conforms to the xsd:double specification
Duration The datatype that represents durations of time
Float A real number that conforms to the xsd:float specification
HexBinary The datatype that represents arbitrary hex-encoded binary data
Integer An integer
Jsonpath A string encoding a JSON Path
Jsonpointer A string encoding a JSON Pointer
Ncname Prefix part of CURIE
Nodeidentifier A URI, CURIE or BNODE that represents a node in a model
NonNegativeInteger The datatype that represents non-negative integers
Objectidentifier A URI or CURIE that represents an object in the model
Sparqlpath A string encoding a SPARQL Property Path
String A character string
Time A time object represents a (local) time of day, independent of any particular...
Uri a complete URI
Uriorcurie a URI or a CURIE

Subsets

Subset Description
DomainAgnosticCore The elements of this subset are considered the core layer of our DCAT-AP exte...