diff --git a/src/nomad_measurements/xrd/schema.py b/src/nomad_measurements/xrd/schema.py index fcb91a27..0b280d25 100644 --- a/src/nomad_measurements/xrd/schema.py +++ b/src/nomad_measurements/xrd/schema.py @@ -738,6 +738,68 @@ def normalize(self, archive: 'EntryArchive', logger: 'BoundLogger'): break +class XRDResult1D_HDF5(XRDResult1D): + intensity = Quantity( + type=HDF5Reference, + description='The count at each 2-theta value, dimensionless', + ) + two_theta = Quantity( + type=HDF5Reference, + description='The 2-theta range of the diffractogram', + ) + q_norm = Quantity( + type=HDF5Reference, + description='The norm of scattering vector *Q* of the diffractogram', + ) + omega = Quantity( + type=HDF5Reference, + description='The omega range of the diffractogram', + ) + phi = Quantity( + type=HDF5Reference, + description='The phi range of the diffractogram', + ) + chi = Quantity( + type=HDF5Reference, + description='The chi range of the diffractogram', + ) + + +class XRDResultRSM_HDF5(XRDResultRSM): + intensity = Quantity( + type=HDF5Reference, + description='The count at each 2-theta value, dimensionless', + ) + two_theta = Quantity( + type=HDF5Reference, + description='The 2-theta range of the diffractogram', + ) + q_norm = Quantity( + type=HDF5Reference, + description='The norm of scattering vector *Q* of the diffractogram', + ) + omega = Quantity( + type=HDF5Reference, + description='The omega range of the diffractogram', + ) + phi = Quantity( + type=HDF5Reference, + description='The phi range of the diffractogram', + ) + chi = Quantity( + type=HDF5Reference, + description='The chi range of the diffractogram', + ) + q_parallel = Quantity( + type=HDF5Reference, + description='The scattering vector *Q_parallel* of the diffractogram', + ) + q_perpendicular = Quantity( + type=HDF5Reference, + description='The scattering vector *Q_perpendicular* of the diffractogram', + ) + + class XRayDiffraction(Measurement): """ Generic X-ray diffraction measurement.