::!\bin\sh :: A complicated sortmtz example to test dataset handling. :: WARNING: this does not represent a real-life program sequence! :: There is a simpler example of sortmtz in scala.exam na4tomtz hklin %DATA%\aucn.na4 hklout %TEMPRES%\aucn.mtz :: Create 3 files with different datasets. The datasets have :: different cell dimensions as well as different wavelengths and :: so represent different crystals. rebatch HKLIN %TEMPRES%\aucn.mtz HKLOUT %TEMPRES%\aucn_1.mtz < %SCRIPTWIN%\sortmtz1.dat rebatch HKLIN %TEMPRES%\aucn.mtz HKLOUT %TEMPRES%\aucn_2.mtz < %SCRIPTWIN%\sortmtz2.dat rebatch HKLIN %TEMPRES%\aucn.mtz HKLOUT %TEMPRES%\aucn_3.mtz < %SCRIPTWIN%\sortmtz3.dat :: Now sort and merge the 3 files. sortmtz HKLOUT %TEMPRES%\aucn_sortmtz.mtz < %SCRIPTWIN%\sortmtz4.dat :: Check the output. Note that the batch headers were not changed by :: the rebatch runs, but the main header should be correct. mtzdump HKLIN %TEMPRES%\aucn_sortmtz.mtz < %SCRIPTWIN%\sortmtz5.dat