• mass (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)
  • analyzer (“ms,ms/ms,uv,fid”)
  • cdf (object):
    • filename
  • defaultTrace (string): Name of the default trace to display and use for integration
  • description (html)
  • experiment (“gc,hplc,lc,gc/ms,hplc/ms,lc/ms”)
  • instrument (object):
    • manufacturer (string)
    • model (string)
    • serialNumber (string)
    • software (string)
  • jcamp (object):
    • filename
  • method (string)
  • misc (object)
  • mode (“positive,negative”)
  • peak (array
    • assignment (string)
    • from (number, s)
    • inflectionPoints (array
      • from (number)
      • to (number)
    • intensity (number)
    • kovats (number)
    • mf (number)
    • mf (string)
    • misc (object)
    • modification (string)
    • ocl (object):
      • coordinates
      • value
    • ppm (number)
    • relativeIntegral (number)
    • remarks (html)
    • retentionTime (number, s)
    • to (number, s)
  • procedure (html)
  • processing (string)
  • remarks (html)
  • report (object): a html file that contains an analytical report:
    • filename ̰
  • xml (object):
    • filename