id: https://example.org/xas-catalysis
name: XAS Catalysis
description: Schema for X-ray Absorption Spectroscopy (XAS) technique in catalysis experiments at the DESY P64 beamline
prefixes:
  schema: http://schema.org/
  linkml: https://w3id.org/linkml/
default_range: string

imports:
  - linkml:types

default_prefix: xas_catalysis

types:
  float:
    base: float
  datetime:
    base: datetime

classes:
  CatalysisExperiment:
    description: Information about the catalysis experiment using XAS at the DESY P64 beamline
    attributes:
      experimentID:
        description: Unique identifier for the experiment
        required: true
      sample:
        description: Information about the sample used in the experiment
        range: Sample
      instrument:
        description: Information about the instrument used for the experiment
        range: Instrument
      technique:
        description: Information about the XAS technique used
        range: Technique
      dataProcessing:
        description: Information about data processing methods used
        range: DataProcessing
      metadata:
        description: Additional metadata related to the experiment
        range: MetaObject
      startTime:
        description: Start time of the experiment
        range: datetime
      endTime:
        description: End time of the experiment
        range: datetime

  Sample:
    description: Information about the sample used in the XAS catalysis experiment
    attributes:
      sampleID:
        description: Unique identifier for the sample
        required: true
      material:
        description: Material of the sample
      preparationMethod:
        description: Method used to prepare the sample
      catalyst:
        description: Catalyst used in the experiment
      reactionConditions:
        description: Reaction conditions (e.g., temperature, pressure)
      description:
        description: Detailed description of the sample

  Instrument:
    description: Information about the instrument used for the XAS catalysis experiment
    attributes:
      instrumentID:
        description: Unique identifier for the instrument
        required: true
      name:
        description: Name of the instrument
      facility:
        description: Facility where the instrument is located
        default: DESY
      beamline:
        description: Beamline used for the experiment
        default: P64
      energyRange:
        description: Energy range used in the experiment
        range: EnergyRange

  DataProcessing:
    description: Information about data processing methods used in the XAS catalysis experiment
    attributes:
      software:
        description: Software used for data processing
      version:
        description: Version of the software
      method:
        description: Method or algorithm used for data processing

  MetaObject:
    description: Generic metadata object
    class_uri: linkml:Any

  EnergyRange:
    description: Energy range used in the XAS experiment
    attributes:
      minEnergy:
        description: Minimum energy in electron volts (eV)
        range: float
        required: true
      maxEnergy:
        description: Maximum energy in electron volts (eV)
        range: float
        required: true

  Technique:
    description: Information about the XAS technique used in the catalysis experiment
    attributes:
      techniqueType:
        description: Type of XAS technique (e.g., EXAFS, XANES)
        range: TechniqueTypeEnum
        required: true
      edge:
        description: Absorption edge (e.g., K-edge, L-edge)
        range: EdgeEnum
      detector:
        description: Type of detector used
        range: DetectorEnum
      monochromator:
        description: Type of monochromator used
        range: MonochromatorEnum

enums:
  TechniqueTypeEnum:
    permissible_values:
      EXAFS:
        description: Extended X-ray Absorption Fine Structure
      XANES:
        description: X-ray Absorption Near Edge Structure

  EdgeEnum:
    permissible_values:
      K-edge:
        description: K absorption edge
      L-edge:
        description: L absorption edge
      M-edge:
        description: M absorption edge

  DetectorEnum:
    permissible_values:
      Fluorescence:
        description: Fluorescence detector
      Transmission:
        description: Transmission detector
      ElectronYield:
        description: Electron yield detector

  MonochromatorEnum:
    permissible_values:
      Si111:
        description: Silicon (111) monochromator
      Si311:
        description: Silicon (311) monochromator
      Ge111:
        description: Germanium (111) monochromator