PDBx/mmCIF
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Data Category diffrn_radiation

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General

Category name
diffrn_radiation
Required in PDB entries
no
Category group membership
diffrn_group
Used in current PDB entries
Yes, in about 85.2 % of entries

Category Relationship Diagrams

70
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70
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Category Description 

              Data items in the DIFFRN_RADIATION category describe
              the radiation used for measuring diffraction intensities,
              its collimation and monochromatization before the sample.

              Post-sample treatment of the beam is described by data
              items in the DIFFRN_DETECTOR category.

NeXus Mapping Details 

 

    _diffrn_radiation.collimation    COLLIMATION
    _diffrn_radiation.diffrn_id      DIFFRNID
    _diffrn_radiation.div_x_source   DIVX
    _diffrn_radiation.div_y_source   DIVY
    _diffrn_radiation.div_x_y_source DIVXY
    _diffrn_radiation.filter_edge'   ABSEDGE
    _diffrn_radiation.inhomogeneity  HWIDTH
    _diffrn_radiation.monochromator  MONOCHROMATOR
    _diffrn_radiation.polarisn_norm  POLNANG
    _diffrn_radiation.polarisn_ratio POLRAT
    _diffrn_radiation.polarizn_source_norm   POLSNANG
    _diffrn_radiation.polarizn_source_ratio  POLSRAT
    _diffrn_radiation.polarizn_Stokes_I  SVECI
    _diffrn_radiation.polarizn_Stokes_Q  SVECQ
    _diffrn_radiation.polarizn_Stokes_U  SVECU
    _diffrn_radiation.polarizn_Stokes_V  SVECV
    _diffrn_radiation.polarisn_norm_esd  POLNANGESD
    _diffrn_radiation.polarisn_ratio_esd POLRATESD
    _diffrn_radiation.polarizn_source_norm_esd   POLSNANGESD
    _diffrn_radiation.polarizn_source_ratio_esd  POLSRATESD
    _diffrn_radiation.polarizn_Stokes_I_esd  SVECIESD
    _diffrn_radiation.polarizn_Stokes_Q_esd  SVECQESD
    _diffrn_radiation.polarizn_Stokes_U_esd  SVECUESD
    _diffrn_radiation.polarizn_Stokes_V_esd  SVECVESD
    _diffrn_radiation.probe          RADIATION
    _diffrn_radiation.type           SIEGBAHNTYPE
    _diffrn_radiation.xray_symbol    IUPACXRAYSYMB
    _diffrn_radiation.wavelength_id  ID
    _diffrn_radiation_wavelength.id  ID
    _diffrn_radiation_wavelength.wavelength    WAVELENGTH
    _diffrn_radiation_wavelength.wt            WEIGHT
    _diffrn_scan_frame.polarizn_Stokes_I STOKESI
    _diffrn_scan_frame.polarizn_Stokes_Q STOKESQ
    _diffrn_scan_frame.polarizn_Stokes_U STOKESU
    _diffrn_scan_frame.polarizn_Stokes_V STOKESV
    _diffrn_scan_frame.polarizn_Stokes_I_esd STOKESIESD
    _diffrn_scan_frame.polarizn_Stokes_Q_esd STOKESQESD
    _diffrn_scan_frame.polarizn_Stokes_U_esd STOKESUESD
    _diffrn_scan_frame.polarizn_Stokes_V_esd STOKESVESD
    _diffrn_scan_frame.frame_number FRAMENO

    -->

       /entry:NXentry
         /CBF_scan_id="SCANID"
         /sample:NXsample
           /beam:NXbeam
             /incident_divergence_x=DIVX
               @units="degrees"
             /incident_divergence_y=DIVY
               @units="degrees"
             /incident_divergence_xy=DIXXY
               @units="degrees^2"
             /CBF_diffrn_radiation_wavelength__wavelength_id=[WAVELENGTH_ID]
             /incident_wavelength=[WAVELENGTH]
               @units="A"
             /weight=[WEIGHT]
             /incident_polarisation_stokes_average=[SVECI,SVECQ,SVECU,SVECV]
             /incident_polarisation_stokes_average_uncertainty=[SVECIESD,SVECQESD,SVECUESD,SVECVESD]
             /incident_polarisation_stokes=[STOKESI,STOKESQ,STOKESU,STOKESV]
             /incident_polarisation_stokes_uncertainty=[STOKESIESD,STOKESQESD,STOKESUESD,STOKESVESD]
               @units="Watts/meter^2"
             /CBF_diffrn_radiation__polarisn_norm=POLNANG
               @units="deg"
             /CBF_diffrn_radiation__polarisn_ratio=POLRAT
             /CBF_diffrn_radiation__polarisn_norm_uncertainty=POLNANGESD
               @units="deg"
             /CBF_diffrn_radiation__polarisn_ratio_uncertainty=POLRATESD
             /CBF_diffrn_radiation__polarisn_source_norm=POLSNANG
               @units="deg"
             /CBF_diffrn_radiation__polarizn_source_ratio=POLSRAT
             /CBF_diffrn_radiation__polarisn_source_norm_uncertainty=POLSNANGESD
               @units="deg"
             /CBF_diffrn_radiation__polarizn_source_ratio_uncertainty=POLSRATESD
             /CBF_diffrn_radiation__filter_edge=ABSEDGE
                @units="angstroms"
             /CBF_diffrn_radiation__inhomogeneity=HWIDTH
                @units="mm"
         /instrument:NXinstrument
           /monochromator:NXmonochromator
             /description="MONOCHROMATOR"
           /source:NXsource
             /probe="RADIATION"
             /CBF_diffrn_radiation__type="SIEGBAHNTYPE"
             /CBF_diffrn_radiation__xray_symbol="IUPACXRAYSYMB"

         With the incident_polarisation_stokes array indexed by FRAMENO

Category Examples

2

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Category Example1

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    _diffrn_radiation.diffrn_id            'set1'

    _diffrn_radiation.collimation          '0.3 mm double pinhole'
    _diffrn_radiation.monochromator        'graphite'
    _diffrn_radiation.type                 'Cu K\a'
    _diffrn_radiation.wavelength_id         1

Category Example2

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    _diffrn_radiation.wavelength_id    1
    _diffrn_radiation.type             'Cu K\a'
    _diffrn_radiation.monochromator    'graphite'

Key Data Items

Category Data Items

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