Class: NMRSpectralAnalysis

A DataAnalysis which assigns a chemical structure to the peaks of a NMRSpectrum generated by a NMRSpectroscopy

classDiagram class NMRSpectralAnalysis click NMRSpectralAnalysis href "../NMRSpectralAnalysis/" DataAnalysis <|-- NMRSpectralAnalysis click DataAnalysis href "../DataAnalysis/" NMRSpectralAnalysis : carried_out_by NMRSpectralAnalysis --> "* _recommended_" AgenticEntity : carried_out_by click AgenticEntity href "../AgenticEntity/" NMRSpectralAnalysis : description NMRSpectralAnalysis : evaluated_activity NMRSpectralAnalysis --> "* _recommended_" EvaluatedActivity : evaluated_activity click EvaluatedActivity href "../EvaluatedActivity/" NMRSpectralAnalysis : evaluated_entity NMRSpectralAnalysis --> "* _recommended_" NMRSpectrum : evaluated_entity click NMRSpectrum href "../NMRSpectrum/" NMRSpectralAnalysis : had_input_activity NMRSpectralAnalysis --> "* _recommended_" Activity : had_input_activity click Activity href "../Activity/" NMRSpectralAnalysis : had_input_entity NMRSpectralAnalysis --> "* _recommended_" Entity : had_input_entity click Entity href "../Entity/" NMRSpectralAnalysis : had_output_entity NMRSpectralAnalysis --> "* _recommended_" Entity : had_output_entity click Entity href "../Entity/" NMRSpectralAnalysis : has_part NMRSpectralAnalysis --> "*" Activity : has_part click Activity href "../Activity/" NMRSpectralAnalysis : has_qualitative_attribute NMRSpectralAnalysis --> "* _recommended_" QualitativeAttribute : has_qualitative_attribute click QualitativeAttribute href "../QualitativeAttribute/" NMRSpectralAnalysis : has_quantitative_attribute NMRSpectralAnalysis --> "* _recommended_" QuantitativeAttribute : has_quantitative_attribute click QuantitativeAttribute href "../QuantitativeAttribute/" NMRSpectralAnalysis : id NMRSpectralAnalysis : occurred_in NMRSpectralAnalysis --> "0..1" Surrounding : occurred_in click Surrounding href "../Surrounding/" NMRSpectralAnalysis : other_identifier NMRSpectralAnalysis --> "*" Identifier : other_identifier click Identifier href "../Identifier/" NMRSpectralAnalysis : part_of NMRSpectralAnalysis --> "*" Activity : part_of click Activity href "../Activity/" NMRSpectralAnalysis : rdf_type NMRSpectralAnalysis --> "0..1 _recommended_" DefinedTerm : rdf_type click DefinedTerm href "../DefinedTerm/" NMRSpectralAnalysis : realized_plan NMRSpectralAnalysis --> "0..1" Plan : realized_plan click Plan href "../Plan/" NMRSpectralAnalysis : title NMRSpectralAnalysis : type NMRSpectralAnalysis --> "0..1" DefinedTerm : type click DefinedTerm href "../DefinedTerm/"

Inheritance

Activity [ ClassifierMixin]
- DataGeneratingActivity
  - DataAnalysis
    - NMRSpectralAnalysis

Slots

Name	Cardinality and Range	Description	Inheritance
evaluated_entity	* recommended NMRSpectrum	The slot to specify the NMRSpectrum that was being analysed	DataGeneratingActivity
evaluated_activity	* recommended EvaluatedActivity	The slot to specify the Activity about which the DataGeneratingActivity produ...	DataGeneratingActivity
realized_plan	0..1 Plan	The slot to specify the Plan (i	DataGeneratingActivity
occurred_in	0..1 Surrounding	The slot to specify the Surrounding in which an Activity took place	DataGeneratingActivity
id	1 Uriorcurie	A slot to provide an URI for an entity within this schema	Activity
title	* String	The slot to provide a title for the Activity	Activity
description	* String	The slot to provide a description for the Activity	Activity
other_identifier	* Identifier	The slot to provide a secondary identifier of the Activity	Activity
has_part	* Activity	The slot to provide an Activity that is part of the Activity	Activity
had_input_entity	* recommended Entity	The slot to specify the Entity that was used as an input of an Activity that ...	Activity
had_output_entity	* recommended Entity	The slot to specify the Entity that was generated as an output of an Activity	Activity
had_input_activity	* recommended Activity	The slot to provide a previous Activity that informed the Activity by being c...	Activity
carried_out_by	* recommended AgenticEntity	The slot to specify the AgenticEntity that played a certain part in carrying ...	Activity
has_qualitative_attribute	* recommended QualitativeAttribute	The slot to relate a qualitative attribute to an EvaluatedEntity, EvaluatedAc...	Activity
has_quantitative_attribute	* recommended QuantitativeAttribute	The slot to relate a quantitative attribute to an EvaluatedEntity, EvaluatedA...	Activity
part_of	* Activity	The slot to provide an Activity of which the Activity is a part	Activity
type	0..1 DefinedTerm	This slot is described in more detail within the class in which it is used	ClassifierMixin
rdf_type	0..1 recommended DefinedTerm	The slot to specify the ontology class that is instantiated by an entity	ClassifierMixin

Usages

used by	used in	type	used
NMRAnalysisDataset	was_generated_by	range	NMRSpectralAnalysis

Comments

This class serves as an example for the way in which we want to build domain specific schema profiles. It will be outsourced to a more appropriate location in the future.

Identifier and Mapping Information

Schema Source

from schema: https://NFDI4Chem.github.io/nmr-dcat-ap/nmr_dcat_ap.yaml

Mappings

Mapping Type	Mapped Value
self	NMR:1400042
native	nmr_dcat_ap:NMRSpectralAnalysis

LinkML Source

Direct

name: NMRSpectralAnalysis
description: A DataAnalysis which assigns a chemical structure to the peaks of a NMRSpectrum
  generated by a NMRSpectroscopy
comments:
- This class serves as an example for the way in which we want to build domain specific
  schema profiles. It will be outsourced to a more appropriate location in the future.
from_schema: https://NFDI4Chem.github.io/nmr-dcat-ap/nmr_dcat_ap.yaml
is_a: DataAnalysis
slot_usage:
  evaluated_entity:
    name: evaluated_entity
    description: The slot to specify the NMRSpectrum that was being analysed.
    slot_uri: OBI:0000293
    range: NMRSpectrum
class_uri: NMR:1400042

Induced

name: NMRSpectralAnalysis
description: A DataAnalysis which assigns a chemical structure to the peaks of a NMRSpectrum
  generated by a NMRSpectroscopy
comments:
- This class serves as an example for the way in which we want to build domain specific
  schema profiles. It will be outsourced to a more appropriate location in the future.
from_schema: https://NFDI4Chem.github.io/nmr-dcat-ap/nmr_dcat_ap.yaml
is_a: DataAnalysis
slot_usage:
  evaluated_entity:
    name: evaluated_entity
    description: The slot to specify the NMRSpectrum that was being analysed.
    slot_uri: OBI:0000293
    range: NMRSpectrum
attributes:
  evaluated_entity:
    name: evaluated_entity
    description: The slot to specify the NMRSpectrum that was being analysed.
    in_subset:
    - domain_agnostic_core
    from_schema: https://NFDI4Chem.github.io/nmr-dcat-ap/nmr_dcat_ap.yaml
    rank: 1000
    is_a: had_input_entity
    slot_uri: OBI:0000293
    alias: evaluated_entity
    owner: NMRSpectralAnalysis
    domain_of:
    - DataGeneratingActivity
    range: NMRSpectrum
    recommended: true
    multivalued: true
    inlined: true
    inlined_as_list: true
  evaluated_activity:
    name: evaluated_activity
    description: The slot to specify the Activity about which the DataGeneratingActivity
      produced information.
    in_subset:
    - domain_agnostic_core
    from_schema: https://NFDI4Chem.github.io/nmr-dcat-ap/nmr_dcat_ap.yaml
    rank: 1000
    is_a: had_input_activity
    slot_uri: prov:wasInformedBy
    alias: evaluated_activity
    owner: NMRSpectralAnalysis
    domain_of:
    - DataGeneratingActivity
    range: EvaluatedActivity
    recommended: true
    multivalued: true
    inlined: true
    inlined_as_list: true
  realized_plan:
    name: realized_plan
    description: The slot to specify the Plan (i.e. directive information or procedure)
      that was realized by an Activity.
    in_subset:
    - domain_agnostic_core
    from_schema: https://NFDI4Chem.github.io/nmr-dcat-ap/nmr_dcat_ap.yaml
    rank: 1000
    slot_uri: prov:used
    alias: realized_plan
    owner: NMRSpectralAnalysis
    domain_of:
    - DataGeneratingActivity
    range: Plan
  occurred_in:
    name: occurred_in
    description: The slot to specify the Surrounding in which an Activity took place.
    in_subset:
    - domain_agnostic_core
    from_schema: https://NFDI4Chem.github.io/nmr-dcat-ap/nmr_dcat_ap.yaml
    rank: 1000
    slot_uri: prov:atLocation
    alias: occurred_in
    owner: NMRSpectralAnalysis
    domain_of:
    - DataGeneratingActivity
    range: Surrounding
  id:
    name: id
    description: A slot to provide an URI for an entity within this schema.
    in_subset:
    - domain_agnostic_core
    from_schema: https://NFDI4Chem.github.io/nmr-dcat-ap/nmr_dcat_ap.yaml
    rank: 1000
    identifier: true
    alias: id
    owner: NMRSpectralAnalysis
    domain_of:
    - Activity
    - AgenticEntity
    - Dataset
    - DefinedTerm
    - Document
    - Entity
    - LegalResource
    - LicenseDocument
    - Resource
    range: uriorcurie
    required: true
  title:
    name: title
    description: The slot to provide a title for the Activity.
    notes:
    - not in DCAT-AP
    from_schema: https://NFDI4Chem.github.io/nmr-dcat-ap/nmr_dcat_ap.yaml
    rank: 1000
    slot_uri: dcterms:title
    alias: title
    owner: NMRSpectralAnalysis
    domain_of:
    - Activity
    - AgenticEntity
    - Any
    - Attribution
    - Catalogue
    - CatalogueRecord
    - ChecksumAlgorithm
    - Concept
    - ConceptScheme
    - DataService
    - Dataset
    - DatasetSeries
    - DefinedTerm
    - Distribution
    - Document
    - Entity
    - Frequency
    - Geometry
    - Identifier
    - LegalResource
    - LicenseDocument
    - LinguisticSystem
    - MediaType
    - MediaTypeOrExtent
    - PeriodOfTime
    - Plan
    - Policy
    - ProvenanceStatement
    - QualitativeAttribute
    - QuantitativeAttribute
    - Resource
    - RightsStatement
    - Role
    - Standard
    - SupportiveEntity
    - Surrounding
    - TimeInstant
    range: string
    multivalued: true
    inlined_as_list: true
  description:
    name: description
    description: The slot to provide a description for the Activity.
    notes:
    - not in DCAT-AP
    from_schema: https://NFDI4Chem.github.io/nmr-dcat-ap/nmr_dcat_ap.yaml
    rank: 1000
    slot_uri: dcterms:description
    alias: description
    owner: NMRSpectralAnalysis
    domain_of:
    - Activity
    - AgenticEntity
    - Any
    - Attribution
    - Catalogue
    - CatalogueRecord
    - ChecksumAlgorithm
    - Concept
    - ConceptScheme
    - DataService
    - Dataset
    - DatasetSeries
    - Distribution
    - Document
    - Entity
    - Frequency
    - Geometry
    - Identifier
    - LegalResource
    - LicenseDocument
    - LinguisticSystem
    - MediaType
    - MediaTypeOrExtent
    - PeriodOfTime
    - Plan
    - Policy
    - ProvenanceStatement
    - QualitativeAttribute
    - QuantitativeAttribute
    - Resource
    - RightsStatement
    - Role
    - Standard
    - SupportiveEntity
    - Surrounding
    - TimeInstant
    range: string
    multivalued: true
    inlined_as_list: true
  other_identifier:
    name: other_identifier
    description: The slot to provide a secondary identifier of the Activity.
    notes:
    - not in DCAT-AP
    from_schema: https://NFDI4Chem.github.io/nmr-dcat-ap/nmr_dcat_ap.yaml
    rank: 1000
    slot_uri: adms:identifier
    alias: other_identifier
    owner: NMRSpectralAnalysis
    domain_of:
    - Activity
    - AgenticEntity
    - Dataset
    - Entity
    range: Identifier
    multivalued: true
    inlined_as_list: true
  has_part:
    name: has_part
    description: The slot to provide an Activity that is part of the Activity.
    notes:
    - not in DCAT-AP
    from_schema: https://NFDI4Chem.github.io/nmr-dcat-ap/nmr_dcat_ap.yaml
    rank: 1000
    slot_uri: dcterms:hasPart
    alias: has_part
    owner: NMRSpectralAnalysis
    domain_of:
    - Activity
    - AgenticEntity
    - Catalogue
    - Entity
    range: Activity
    multivalued: true
    inlined_as_list: true
  had_input_entity:
    name: had_input_entity
    description: The slot to specify the Entity that was used as an input of an Activity
      that is to be changed, consumed or transformed.
    notes:
    - not in DCAT-AP
    in_subset:
    - domain_agnostic_core
    from_schema: https://NFDI4Chem.github.io/nmr-dcat-ap/nmr_dcat_ap.yaml
    rank: 1000
    slot_uri: prov:used
    alias: had_input_entity
    owner: NMRSpectralAnalysis
    domain_of:
    - Activity
    range: Entity
    recommended: true
    multivalued: true
    inlined: true
    inlined_as_list: true
  had_output_entity:
    name: had_output_entity
    description: The slot to specify the Entity that was generated as an output of
      an Activity.
    notes:
    - not in DCAT-AP
    in_subset:
    - domain_agnostic_core
    from_schema: https://NFDI4Chem.github.io/nmr-dcat-ap/nmr_dcat_ap.yaml
    rank: 1000
    slot_uri: prov:generated
    alias: had_output_entity
    owner: NMRSpectralAnalysis
    domain_of:
    - Activity
    range: Entity
    recommended: true
    multivalued: true
    inlined: true
    inlined_as_list: true
  had_input_activity:
    name: had_input_activity
    description: The slot to provide a previous Activity that informed the Activity
      by being causally via a shared participant.
    notes:
    - not in DCAT-AP
    in_subset:
    - domain_agnostic_core
    from_schema: https://NFDI4Chem.github.io/nmr-dcat-ap/nmr_dcat_ap.yaml
    rank: 1000
    slot_uri: prov:wasInformedBy
    alias: had_input_activity
    owner: NMRSpectralAnalysis
    domain_of:
    - Activity
    range: Activity
    recommended: true
    multivalued: true
    inlined: true
    inlined_as_list: true
  carried_out_by:
    name: carried_out_by
    description: The slot to specify the AgenticEntity that played a certain part
      in carrying out the Activity, either via having a specific role, function or
      disposition that was realized in the Activity.
    notes:
    - not in DCAT-AP
    in_subset:
    - domain_agnostic_core
    from_schema: https://NFDI4Chem.github.io/nmr-dcat-ap/nmr_dcat_ap.yaml
    rank: 1000
    slot_uri: prov:wasAssociatedWith
    alias: carried_out_by
    owner: NMRSpectralAnalysis
    domain_of:
    - Activity
    range: AgenticEntity
    recommended: true
    multivalued: true
    inlined: true
    inlined_as_list: true
  has_qualitative_attribute:
    name: has_qualitative_attribute
    description: The slot to relate a qualitative attribute to an EvaluatedEntity,
      EvaluatedActivity or AgenticEntity
    notes:
    - not in DCAT-AP
    in_subset:
    - domain_agnostic_core
    from_schema: https://NFDI4Chem.github.io/nmr-dcat-ap/nmr_dcat_ap.yaml
    rank: 1000
    slot_uri: dcterms:relation
    alias: has_qualitative_attribute
    owner: NMRSpectralAnalysis
    domain_of:
    - Activity
    - AgenticEntity
    - Entity
    range: QualitativeAttribute
    recommended: true
    multivalued: true
    inlined: true
    inlined_as_list: true
  has_quantitative_attribute:
    name: has_quantitative_attribute
    description: The slot to relate a quantitative attribute to an EvaluatedEntity,
      EvaluatedActivity or AgenticEntity
    notes:
    - not in DCAT-AP
    in_subset:
    - domain_agnostic_core
    from_schema: https://NFDI4Chem.github.io/nmr-dcat-ap/nmr_dcat_ap.yaml
    rank: 1000
    slot_uri: dcterms:relation
    alias: has_quantitative_attribute
    owner: NMRSpectralAnalysis
    domain_of:
    - Activity
    - AgenticEntity
    - Entity
    range: QuantitativeAttribute
    recommended: true
    multivalued: true
    inlined: true
    inlined_as_list: true
  part_of:
    name: part_of
    description: The slot to provide an Activity of which the Activity is a part.
    notes:
    - not in DCAT-AP
    in_subset:
    - domain_agnostic_core
    from_schema: https://NFDI4Chem.github.io/nmr-dcat-ap/nmr_dcat_ap.yaml
    rank: 1000
    slot_uri: dcterms:isPartOf
    alias: part_of
    owner: NMRSpectralAnalysis
    domain_of:
    - Activity
    - AgenticEntity
    - Entity
    inverse: has_part
    range: Activity
    multivalued: true
    inlined_as_list: true
  type:
    name: type
    description: This slot is described in more detail within the class in which it
      is used.
    from_schema: https://NFDI4Chem.github.io/nmr-dcat-ap/nmr_dcat_ap.yaml
    rank: 1000
    slot_uri: dcterms:type
    alias: type
    owner: NMRSpectralAnalysis
    domain_of:
    - Agent
    - ClassifierMixin
    - Dataset
    - LicenseDocument
    range: DefinedTerm
    inlined: true
  rdf_type:
    name: rdf_type
    description: The slot to specify the ontology class that is instantiated by an
      entity.
    in_subset:
    - domain_agnostic_core
    from_schema: https://NFDI4Chem.github.io/nmr-dcat-ap/nmr_dcat_ap.yaml
    rank: 1000
    slot_uri: rdf:type
    alias: rdf_type
    owner: NMRSpectralAnalysis
    domain_of:
    - ClassifierMixin
    range: DefinedTerm
    recommended: true
    inlined: true
class_uri: NMR:1400042