!***************************************************************************** ! Program CELLPARM estimates the mean unit cell constants as obtained ! from processing several data sets of the same or similar crystal. ! CELLPARM expects input from file CELLPARM.INP and reports the results ! in file CELLPARM.LP. ! ! Usually, each set of cell constants is obtained from the corresponding ! CORRECT step and weighted by the number of reflections used for refinement. ! The values belonging to one set of cell constants are copied to one line ! in the file CELLPARM.INP as outlined below. ! ! The mean cell constants are reported in CELLPARM.LP ! Characters in a line to the right of an exclamation mark are comment. !***************************************************************************** !from mb_high/xds/GLOREF.LP UNIT_CELL_CONSTANTS=64.585 30.911 34.886 90.000 105.822 90.000 WEIGHT=284516 !from mb_med/xds/GLOREF.LP UNIT_CELL_CONSTANTS=64.584 30.932 34.879 90.000 105.832 90.000 WEIGHT=32106 !from mb_low/xds/GLOREF.LP UNIT_CELL_CONSTANTS=64.658 30.972 34.918 90.000 105.823 90.000 WEIGHT=1966