• xrd (array
  • source (object):

    • type (experiment

      simulation

      literature)

    • name (str): e.g., aiidalab.materialscloud.org
    • uuid (str): e.g., the UUID of the node of the object in AiiDAlab or the UUID of the data in some other database
    • doi (str)
    • url (str)
  • anode (“CuKa,CuKa2,CuKa1,CuKb1,MoKa,MoKa2,MoKa1,MoKb1,CrKa,CrKa2,CrKa1,CrKb1,FeKa,FeKa2,FeKa1,FeKb1,CoKa,CoKa1,CoKa2,CoKb1,AgKa,AgKa1,AgKa2,AgKb1”)
  • environment (string): For example, in vacuo, N2
  • instrument (object):
    • manufacturer (string)
    • model (string)
    • serialNumber (string)
    • software (string)
  • jcamp (object):
    • filename (string)
  • relativeHumidity (number, %)
  • remarks (html)
  • sampleHolder (string): For example, capillary
  • temperature (number, K)
  • peak (array
    • angle (object): center of the reflex
      • SI (number)
      • unit (string): typically degree, will depend on the anode
    • fwhm (object): full width at half maximum of the reflex
      • SI (number)
      • unit (string): typically degree, will depend on the anode