From d21f2eb608431cd11b93aa96de3c792713829b44 Mon Sep 17 00:00:00 2001 From: Thomas White Date: Tue, 6 Mar 2012 16:10:53 +0100 Subject: Don't include 1/d in reflection lists, because it's pointless --- scripts/gen-sfs-ano | 7 +++---- 1 file changed, 3 insertions(+), 4 deletions(-) (limited to 'scripts/gen-sfs-ano') diff --git a/scripts/gen-sfs-ano b/scripts/gen-sfs-ano index 522e0a6d..05eb69d2 100755 --- a/scripts/gen-sfs-ano +++ b/scripts/gen-sfs-ano @@ -48,8 +48,7 @@ use strict; my \$line; open(FILE, "${PDB}-temp1.hkl"); -printf(" h k l I phase sigma(I) 1/d(nm^-1) ". - "counts fs/px ss/px\\n"); +printf(" h k l I phase sigma(I) counts fs/px ss/px\\n"); while ( \$line = ) { @@ -62,10 +61,10 @@ while ( \$line = ) { my \$iminus = \$5*\$5; printf("%3i %3i %3i %10.2f - 0.0 %s %7i %6.1f %6.1f\n", - \$h, \$k, \$l, \$iplus, " -", 1, 0.0, 0.0); + \$h, \$k, \$l, \$iplus, 1, 0.0, 0.0); printf("%3i %3i %3i %10.2f - 0.0 %s %7i %6.1f %6.1f\n", - -\$h, -\$k, -\$l, \$iminus, " -", 1, 0.0, 0.0); + -\$h, -\$k, -\$l, \$iminus, 1, 0.0, 0.0); } else { printf(STDERR "Couldn't understand line '%s'\n", \$line); -- cgit v1.2.3