diff options
Diffstat (limited to 'scripts/mtz2hkl')
-rwxr-xr-x | scripts/mtz2hkl | 44 |
1 files changed, 7 insertions, 37 deletions
diff --git a/scripts/mtz2hkl b/scripts/mtz2hkl index e1c98251..5a7409c9 100755 --- a/scripts/mtz2hkl +++ b/scripts/mtz2hkl @@ -1,39 +1,9 @@ #!/bin/sh -mtz2various hklin $1 hklout $2.temp <<EOF -LABIN H=H K=K L=L I=IMEAN SIGI=SIGIMEAN -OUTPUT USER '(3I4,2F15.1)' -EOF - -perl < $2.temp > $2 << WIBBLE -use strict; - -my \$line; -open(FILE, "$2.temp"); - -printf("CrystFEL reflection list version 2.0\n"); -printf("Symmetry: 1\n"); -printf(" h k l I phase sigma(I) nmeas\n"); - -while ( \$line = <FILE> ) { - - if ( \$line =~ /^\s*([\d\-]+)\s+([\d\-]+)\s+([\d\-]+)\s+([\d\-\.]+)\s+([\d\-\.]+)/ ) { - - my \$h = \$1; - my \$k = \$2; - my \$l = \$3; - my \$intensity = \$4; - my \$sigi = \$5; - - printf("%4i %4i %4i %10.2f %s %10.2f %7i\n", - \$h, \$k, \$l, \$intensity, " -", \$sigi, 1); - - } else { - printf(STDERR "Couldn't understand line '%s'\n", \$line); - } - -} -close(FILE); -printf("End of reflections\n"); -WIBBLE -exit +echo ------------------------------------------------------------- +echo +echo In this CrystFEL version, MTZ import is now done via get_hkl: +echo get_hkl -i file.mtz -o out.hkl +echo +echo ------------------------------------------------------------- +exit 1 |