sgs


Space Group Settings

SGS arguments [any except none]

Changes the current space group settings using provided cell setting (if applicable) and axis, or 9 transformation matrix elements and the space group symbol. If the transformed HKL file is required, it should be provided as the last argument (something like ‘new.hkl’)

sgs 1 0 0 0 -1 0 0 0 -1 P-1 new.hkl.