From 0b262aa61f587b69fd46c95841342886580f4946 Mon Sep 17 00:00:00 2001 From: Thomas White Date: Mon, 30 Jul 2012 20:32:55 -0700 Subject: Update *2hkl scripts, add cif2hkl --- scripts/cif2hkl | 28 ++++++++++++++++++++++++++++ 1 file changed, 28 insertions(+) create mode 100755 scripts/cif2hkl (limited to 'scripts/cif2hkl') diff --git a/scripts/cif2hkl b/scripts/cif2hkl new file mode 100755 index 00000000..8d82726c --- /dev/null +++ b/scripts/cif2hkl @@ -0,0 +1,28 @@ +#!/usr/bin/perl -w + +use strict; + +my $line; + +printf(" h k l I phase sigma(I) counts" + ." fs/px ss/px\n"); + +while ( $line = ) { + + if ( $line =~ /([\d\-]+)\s+([\d\-]+)\s+([\d\-]+)\so\s+[\d\.\-]+\s+[\d\.\-]+\s+([\d\.\-]+)\s+([\d\.\-]+)\s+$/ ) { + + my $h = $1; + my $k = $2; + my $l = $3; + my $intensity = $4; + my $sigi = $5; + + printf("%3i %3i %3i %10.2f %s %10.2f %7i %6.1f %6.1f\n", + $h, $k, $l, $intensity, " -", $sigi, + 1, 0.0, 0.0); + + } + +} + +printf("End of reflections\n"); -- cgit v1.2.3