::!\bin\sh :: Remember the order of reflections in the output file will be funny. :: Use cad or sortmtz to fix it. :: E.g. 1 :: Re-index a merged file. reindex HKLIN %TOXD%\toxd_old HKLOUT %TEMPRES%\toxd_reind1 < %SCRIPTWIN%\reindex1.dat echo H K L | sortmtz HKLIN %TEMPRES%\toxd_reind1 HKLOUT %TEMPRES%\toxd_reind2 :: E.g. 2 :: Reduce an unmerged file to a different point group na4tomtz hklin %DATA%\aucn.na4 hklout %TEMPRES%\aucn.mtz reindex hklin %TEMPRES%\aucn.mtz hklout %TEMPRES%\aucn_reindex.mtz < %SCRIPTWIN%\reindex2.dat