Index

Core dictionary (coreCIF) version 2.4.5

Category DIFFRN_REFLN

Name:
'_diffrn_refln_[]'

Definition:

   Data items in the DIFFRN_REFLN category record details about
   the intensities measured in the diffraction experiment.

   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. The DIFFRN_REFLNS data items
   are not looped.)

Example:

Example 1 - extracted from the CAD-4 listing for Tl~2~Cd~2~(SO~4~)~3~ at 85 K (unpublished).
 
    loop_
        _diffrn_refln_index_h
        _diffrn_refln_index_k
        _diffrn_refln_index_l
        _diffrn_refln_angle_chi
        _diffrn_refln_scan_rate
        _diffrn_refln_counts_bg_1
        _diffrn_refln_counts_total
        _diffrn_refln_counts_bg_2
        _diffrn_refln_angle_theta
        _diffrn_refln_angle_phi
        _diffrn_refln_angle_omega
        _diffrn_refln_angle_kappa
        _diffrn_refln_scan_width
        _diffrn_refln_elapsed_time

 0  0 -16  0. 4.12  28 127  36  33.157  -75.846  16.404   50.170  1.516 19.43
 0  0 -15  0. 4.12  38 143  28  30.847  -75.846  14.094   50.170  1.516 19.82
 0  0 -14  0. 1.03 142 742 130  28.592  -75.846  11.839   50.170  1.516 21.32
 0  0 -13  0. 4.12  26 120  37  26.384  -75.846   9.631   50.170  1.450 21.68
 0  0 -12  0. 0.97 129 618 153  24.218  -75.846   7.464   50.170  1.450 23.20
 0  0 -11  0. 4.12  33 107  38  22.087  -75.846   5.334   50.170  1.384 23.55
 0  0 -10  0. 4.12  37 146  33  19.989  -75.846   3.235   50.170  1.384 23.90
 0  0  -9  0. 4.12  50 179  49  17.918  -75.846   1.164   50.170  1.384 24.25
    # - - - - data truncated for brevity - - - -
 3  4  -4  0. 1.03  69 459  73  30.726  -53.744  46.543  -47.552  1.516 2082.58
 3  4  -5  0. 1.03  91 465  75  31.407  -54.811  45.519  -42.705  1.516 2084.07
 3 14  -6  0. 1.03  84 560  79  32.228  -55.841  44.745  -38.092  1.516 2085.57
    # - - - - data truncated for brevity - - - -



Type: null

Category: category_overview