Scale many datasets: Difference between revisions

m
Line 66: Line 66:
mkdir xscale
mkdir xscale
cd xscale
cd xscale
# create XSCALE.INP. The unit cell parameters were obtained using cellparm (XDS package) from the 36 XDS_ASCII.HKL files
# create XSCALE.INP. Precise average cell parameters were obtained using cellparm (XDS package) from the 36 XDS_ASCII.HKL files
echo UNIT_CELL_CONSTANTS=77.864    77.864    77.864 90 90 90 >XSCALE.INP
echo UNIT_CELL_CONSTANTS=77.864    77.864    77.864 90 90 90 >XSCALE.INP
echo SPACE_GROUP_NUMBER=199 >>XSCALE.INP
echo SPACE_GROUP_NUMBER=199 >>XSCALE.INP
2,684

edits