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/hkl2hkl | 13 +++++++++---- 1 file changed, 9 insertions(+), 4 deletions(-) (limited to 'scripts/hkl2hkl') diff --git a/scripts/hkl2hkl b/scripts/hkl2hkl index 70757d50..a9dfab13 100755 --- a/scripts/hkl2hkl +++ b/scripts/hkl2hkl @@ -4,20 +4,25 @@ use strict; my $line; -printf(" h k l I phase sigma(I) 1/d(nm^-1) counts\n"); +printf(" h k l I phase sigma(I) counts" + ." fs/px ss/px\n"); while ( $line = ) { - if ( $line =~ /^\s*([\d\-]+)\s+([\d\-]+)\s+([\d\-]+)\s+([\d\.\-]+)\s+/ ) { + if ( $line =~ /([\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("%3i %3i %3i %10.2f %s %10.2f %10.2f %7i\n", - $h, $k, $l, $intensity, " -", 0.0, 0.0, 1); + 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