2,684
edits
Scale many datasets: Difference between revisions
Jump to navigation
Jump to search
m
→Step 5: scale and merge with xscale
| Line 66: | Line 66: | ||
mkdir xscale | mkdir xscale | ||
cd xscale | cd xscale | ||
# create XSCALE.INP. | # 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 | ||