Data Category diffrn_radiation

General

Category name
diffrn_radiation
Required in PDB entries
no
Category group membership
diffrn_group
Used in current PDB entries
Yes, in about 89.7 % of entries

Category Relationship Diagrams

70
View full category relationship diagram including all dictionary data categories
70
View abbreviated category relationship diagram including only those categories used in current PDB entries.

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.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.frame_number FRAMENO
   
    -->

       /CBF_diffrn_scan__SCANID: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=[STOKESI,STOKESQ,STOKESU,STOKESV]
               @units="Watts/meter^2"
             /CBF_diffrn_radiation__polarisn_norm=POLNANG
               @units="deg"
             /CBF_diffrn_radiation__polarisn_ratio=POLRAT   
             /CBF_diffrn_radiation__polarisn_source_norm=POLSNANG
               @units="deg"
             /CBF_diffrn_radiation__polarizn_source_ratio=POLSRAT

             /CBF_diffrn_radiation__filter_edge=ABSEDGE
                @units="angstroms"
             /CBF_diffrn_radiation__inhomogeneity=HWIDTH
                @units="mm"
         /instrument:NXinstrument
           /monchromator: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

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