Macromolecular dictionary (mmCIF) version 2.0.09
Category CELL_MEASUREMENT_REFLN
Name:'cell_measurement_refln'
Description:
Data items in the CELL_MEASUREMENT_REFLN category record details about the reflections used to determine the crystallographic cell parameters. The CELL_MEASUREMENT_REFLN data items would in general be used only for diffractometer data.Example:
Example 1 - extracted from the CAD-4 listing of Rb~2~S~2~O~6~ at room
temperature (unpublished).
loop_ _cell_measurement_refln.index_h _cell_measurement_refln.index_k _cell_measurement_refln.index_l _cell_measurement_refln.theta -2 4 1 8.67 0 3 2 9.45 3 0 2 9.46 -3 4 1 8.93 -2 1 -2 7.53 10 0 0 23.77 0 10 0 23.78 -5 4 1 11.14 # - - - - data truncated for brevity - - - - |
Category groups:
inclusive_group
cell_group
Category keys:
_cell_measurement_refln.index_h
_cell_measurement_refln.index_k
_cell_measurement_refln.index_l
Mandatory category: no