$! Remember the order of reflections will be funny. $! $! Use cad or sortmtz to fix it. $! $ass/user CCP4_SCR:JUNK.mtz hklout $ass/user ccp4_master:[ccp4.examples.toxd]toxd.mtz hklin $reindex reindex h/2 -l/2, k, h/2 +l/2 end $! $sortmtz HKLOUT CCP4_SCR:toxd HKLIN CCP4_SCR:JUNK