Class: NMRSpectroscopy

Nuclear magnetic resonance spectroscopy for structure elucidation.

Note: for detailed liquid-state NMR minimum information, the dedicated

nmr_dcat_ap profile (MARGARITAS) should be used in combination with

this subprofile.

 classDiagram
    class NMRSpectroscopy
    click NMRSpectroscopy href "../../classes/NMRSpectroscopy/"
      CharacterizationTechnique <|-- NMRSpectroscopy
        click CharacterizationTechnique href "../../classes/CharacterizationTechnique/"

      NMRSpectroscopy : description

      NMRSpectroscopy : has_atmosphere





        NMRSpectroscopy --> "* _recommended_" Atmosphere : has_atmosphere
        click Atmosphere href "../../classes/Atmosphere/"



      NMRSpectroscopy : has_temperature





        NMRSpectroscopy --> "* _recommended_" Temperature : has_temperature
        click Temperature href "../../classes/Temperature/"



      NMRSpectroscopy : irradiation_frequency

      NMRSpectroscopy : nmr_pulse_sequence

      NMRSpectroscopy : nmr_sample_tube

      NMRSpectroscopy : nucleus

      NMRSpectroscopy : number_of_scans

      NMRSpectroscopy : rdf_type





        NMRSpectroscopy --> "0..1 _recommended_" DefinedTerm : rdf_type
        click DefinedTerm href "../../classes/DefinedTerm/"



      NMRSpectroscopy : solvent





        NMRSpectroscopy --> "*" ChemicalEntity : solvent
        click ChemicalEntity href "../../classes/ChemicalEntity/"



      NMRSpectroscopy : title

      NMRSpectroscopy : type





        NMRSpectroscopy --> "0..1" DefinedTerm : type
        click DefinedTerm href "../../classes/DefinedTerm/"

Inheritance

Plan [ ClassifierMixin]
- CharacterizationTechnique
  - NMRSpectroscopy

Slots

Name	Cardinality and Range	Description	Inheritance
nucleus	* String	NMR-active nucleus observed (e.g. 1H, 13C, 31P).	direct
solvent	* ChemicalEntity	Solvent used in a process or sample preparation.	direct
irradiation_frequency	* Float	Irradiation frequency of the NMR spectrometer.	direct
has_temperature	* recommended Temperature	The slot to provide the Temperature of a MaterialEntity or an Activity, whereas the temperature of the Activity is ontologically rooted in the temperature of the material entities that participate in the Activity.	direct
nmr_pulse_sequence	* String	NMR pulse sequence used (e.g. zgpg30, dept).	direct
nmr_sample_tube	* String	NMR sample tube type (e.g. 5mm standard, Shigemi tube).	direct
number_of_scans	* Integer	Number of scans or accumulations recorded.	direct
has_atmosphere	* recommended Atmosphere	Gaseous environment or atmospheric conditions during a process.	direct
title	0..1 String	This slot is described in more detail within the class in which it is used.	Plan
description	0..1 String	This slot is described in more detail within the class in which it is used.	Plan
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

Identifier and Mapping Information

Schema Source

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

Mappings

Mapping Type	Mapped Value
self	VOC4CAT:0000073
native	coremeta4cat:NMRSpectroscopy

LinkML Source

Direct

name: NMRSpectroscopy
description: 'Nuclear magnetic resonance spectroscopy for structure elucidation.

  Note: for detailed liquid-state NMR minimum information, the dedicated

  nmr_dcat_ap profile (MARGARITAS) should be used in combination with

  this subprofile.'
from_schema: https://w3id.org/nfdi4cat/coremeta4cat
is_a: CharacterizationTechnique
slots:
- nucleus
- solvent
- irradiation_frequency
- has_temperature
- nmr_pulse_sequence
- nmr_sample_tube
- number_of_scans
- has_atmosphere
class_uri: VOC4CAT:0000073

Induced

name: NMRSpectroscopy
description: 'Nuclear magnetic resonance spectroscopy for structure elucidation.

  Note: for detailed liquid-state NMR minimum information, the dedicated

  nmr_dcat_ap profile (MARGARITAS) should be used in combination with

  this subprofile.'
from_schema: https://w3id.org/nfdi4cat/coremeta4cat
is_a: CharacterizationTechnique
attributes:
  nucleus:
    name: nucleus
    description: NMR-active nucleus observed (e.g. 1H, 13C, 31P).
    from_schema: https://w3id.org/nfdi4cat/coremeta4cat
    rank: 1000
    slot_uri: coremeta4cat:nucleus
    alias: nucleus
    owner: NMRSpectroscopy
    domain_of:
    - NMRSpectroscopy
    range: string
    multivalued: true
  solvent:
    name: solvent
    description: Solvent used in a process or sample preparation.
    from_schema: https://w3id.org/nfdi4cat/coremeta4cat
    rank: 1000
    slot_uri: VOC4CAT:0007246
    alias: solvent
    owner: NMRSpectroscopy
    domain_of:
    - Synthesis
    - NMRSpectroscopy
    - UVVisSpectroscopy
    - DynamicLightScattering
    range: ChemicalEntity
    multivalued: true
    inlined: true
    inlined_as_list: true
  irradiation_frequency:
    name: irradiation_frequency
    description: Irradiation frequency of the NMR spectrometer.
    from_schema: https://w3id.org/nfdi4cat/coremeta4cat
    rank: 1000
    slot_uri: coremeta4cat:irradiation_frequency
    alias: irradiation_frequency
    owner: NMRSpectroscopy
    domain_of:
    - NMRSpectroscopy
    range: float
    multivalued: true
    unit:
      ucum_code: MHz
  has_temperature:
    name: has_temperature
    description: The slot to provide the Temperature of a MaterialEntity or an Activity,
      whereas the temperature of the Activity is ontologically rooted in the temperature
      of the material entities that participate in the Activity.
    from_schema: https://w3id.org/nfdi4cat/coremeta4cat
    rank: 1000
    is_a: has_quantitative_attribute
    slot_uri: SIO:000008
    alias: has_temperature
    owner: NMRSpectroscopy
    domain_of:
    - SonochemicalSynthesis
    - PhotoluminescenceMixin
    - ElectrochemistryMixin
    - PowderXRD
    - SingleCrystalXRD
    - XRayAbsorptionSpectroscopy
    - InfraredSpectroscopy
    - DRIFTS
    - RamanSpectroscopy
    - NMRSpectroscopy
    - DynamicLightScattering
    - SizeExclusionChromatography
    - HighPerformanceLiquidChromatographyMassSpectrometry
    - MaterialisticMixin
    - ChemicalReaction
    - Microkinetics
    - MonteCarlo
    - AqueousStability
    range: Temperature
    recommended: true
    multivalued: true
    inlined: true
    inlined_as_list: true
  nmr_pulse_sequence:
    name: nmr_pulse_sequence
    description: NMR pulse sequence used (e.g. zgpg30, dept).
    from_schema: https://w3id.org/nfdi4cat/coremeta4cat
    rank: 1000
    slot_uri: coremeta4cat:nmr_pulse_sequence
    alias: nmr_pulse_sequence
    owner: NMRSpectroscopy
    domain_of:
    - NMRSpectroscopy
    range: string
    multivalued: true
  nmr_sample_tube:
    name: nmr_sample_tube
    description: NMR sample tube type (e.g. 5mm standard, Shigemi tube).
    from_schema: https://w3id.org/nfdi4cat/coremeta4cat
    rank: 1000
    slot_uri: coremeta4cat:nmr_sample_tube
    alias: nmr_sample_tube
    owner: NMRSpectroscopy
    domain_of:
    - NMRSpectroscopy
    range: string
    multivalued: true
  number_of_scans:
    name: number_of_scans
    description: Number of scans or accumulations recorded.
    from_schema: https://w3id.org/nfdi4cat/coremeta4cat
    rank: 1000
    slot_uri: coremeta4cat:number_of_scans
    alias: number_of_scans
    owner: NMRSpectroscopy
    domain_of:
    - XPS
    - InfraredSpectroscopy
    - DRIFTS
    - RamanSpectroscopy
    - NMRSpectroscopy
    range: integer
    multivalued: true
  has_atmosphere:
    name: has_atmosphere
    description: Gaseous environment or atmospheric conditions during a process.
    from_schema: https://w3id.org/nfdi4cat/coremeta4cat
    rank: 1000
    is_a: has_qualitative_attribute
    slot_uri: SIO:000008
    alias: has_atmosphere
    owner: NMRSpectroscopy
    domain_of:
    - ThermalSynthesisMixin
    - MolecularSynthesis
    - ElectrochemistryMixin
    - PowderXRD
    - XPS
    - InfraredSpectroscopy
    - DRIFTS
    - RamanSpectroscopy
    - NMRSpectroscopy
    - Thermogravimetry
    - CatalyticReaction
    range: Atmosphere
    recommended: true
    multivalued: true
    inlined: true
    inlined_as_list: true
  title:
    name: title
    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: dcterms:title
    alias: title
    owner: NMRSpectroscopy
    domain_of:
    - QuantitativeRange
    - 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
  description:
    name: description
    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: dcterms:description
    alias: description
    owner: NMRSpectroscopy
    domain_of:
    - QuantitativeRange
    - 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
  type:
    name: type
    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: dcterms:type
    alias: type
    owner: NMRSpectroscopy
    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://w3id.org/nfdi4cat/coremeta4cat
    rank: 1000
    slot_uri: rdf:type
    alias: rdf_type
    owner: NMRSpectroscopy
    domain_of:
    - ClassifierMixin
    range: DefinedTerm
    recommended: true
    inlined: true
class_uri: VOC4CAT:0000073