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Category diffrn_refln
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Category Description
Data items in the DIFFRN_REFLN category record details about
the intensities measured 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.
Category Examples
Example 1:
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
Key Category Items
Items in Category diffrn_refln
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This HTML dictionary was created using the
CIFLIB C Language Application Program Interface
at the
Resource Collaboratory for Structural Bioinformatics
Rutgers University, Department of Chemistry
New Brunswick, New Jersey
help@rcsb.rutgers.edu