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Category cell_measurement_refln
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Category Description
Data items in the CELL_MEASUREMENT_REFLN category record
details about the reflections used in determination of the
crystallographic cell parameters.
The CELL_MEASUREMENT_REFLN data items would in general be used
only for diffractometer data.
Category Examples
Example 1:
Example 1 - extracted from the CAD-4 listing of Rb~2~S~2~O~6~ at room
temperature (not yet published).
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 - - - -
Key Category Items
Items in Category cell_measurement_refln
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This HTML dictionary was created using the
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at the
Resource Collaboratory for Structural Bioinformatics
Rutgers University, Department of Chemistry
New Brunswick, New Jersey
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