Macromolecular dictionary (mmCIF) version 2.0.09

Category DIFFRN_REFLN

Name:
'diffrn_refln'

Description:

   Data items in the DIFFRN_REFLN category record details about
   the intensities in the diffraction data set
   identified by _diffrn_refln.diffrn_id.

   The DIFFRN_REFLN data items refer to individual intensity
   measurements and must be included in looped lists.

   The DIFFRN_REFLNS data items specify the parameters that apply
   to all intensity  measurements in the particular diffraction
   data set identified by _diffrn_reflns.diffrn_id.

Example:

Example 1 - based on CAD-4 diffractometer data obtained for Yb(S-C5H4N)2(THF)4 for data set 'set1' reflection 1102.

 
    _diffrn_refln.diffrn_id            set1
    _diffrn_refln.id                   1102
    _diffrn_refln.wavelength_id        Cu1fixed
    _diffrn_refln.angle_chi            32.21
    _diffrn_refln.angle_kappa          20.12
    _diffrn_refln.angle_omega          11.54
    _diffrn_refln.angle_phi            176.02
    _diffrn_refln.angle_psi            0.00
    _diffrn_refln.angle_theta          23.08
    _diffrn_refln.attenuator_code      'Ni.005'
    _diffrn_refln.counts_bg_1          22
    _diffrn_refln.counts_bg_2          25
    _diffrn_refln.counts_net           3450
    _diffrn_refln.counts_peak          321
    _diffrn_refln.counts_total         3499
    _diffrn_refln.detect_slit_horiz    0.04
    _diffrn_refln.detect_slit_vert     0.02
    _diffrn_refln.elapsed_time         1.00
    _diffrn_refln.index_h              4
    _diffrn_refln.index_k              0
    _diffrn_refln.index_l              2
    _diffrn_refln.intensity_net        202.56
    _diffrn_refln.intensity_sigma      2.18
    _diffrn_refln.scale_group_code     A24
    _diffrn_refln.scan_mode            om
    _diffrn_refln.scan_mode_backgd     mo
    _diffrn_refln.scan_rate            1.2
    _diffrn_refln.scan_time_backgd     900.00
    _diffrn_refln.scan_width           1.0
    _diffrn_refln.sint_over_lambda     0.25426
    _diffrn_refln.standard_code        1
    _diffrn_refln.wavelength           1.54184

Category groups:
    inclusive_group
    diffrn_group
Category keys:
    _diffrn_refln.diffrn_id
    _diffrn_refln.id

Mandatory category: no

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Crystallographic Information Framework

Macromolecular dictionary (mmCIF) version 2.0.09

Category DIFFRN_REFLN

International Tables for Crystallography

Volume G: Definition and exchange of crystallographic data

Edited by S. R. Hall and B. McMahon

IUCrData