# prepare the fa data... shelxc TS03 << eof INFL TS03_12287_scaled_INFL.sca LREM TS03_12287_scaled_LREM.sca SPAG P43212 CELL 51.690000 51.680000 157.800000 90.000000 90.000000 90.000000 FIND 9 NTRY 20 MIND -3.5 eof # then run hyss - alternatively just the peak data could be used... phenix.hyss TS03_fa.hkl=hklf3 9 Se --space_group=p43212 \ --unit_cell=51.690000,51.680000,157.800000,90.000000,90.000000,90.000000