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authorThomas White <taw@physics.org>2014-03-03 17:03:28 +0100
committerThomas White <taw@physics.org>2014-03-03 17:03:28 +0100
commit29f05a21f0782201751e8ad5ff78b42836979f73 (patch)
tree4938eacad8ac99ae1cce51f85720da8fb9934bdd /scripts/gen-sfs-ano
parentbe6df1aaf9df81f836118e426aae5d0f699bd493 (diff)
Update scripts for new reflection list format
Diffstat (limited to 'scripts/gen-sfs-ano')
-rwxr-xr-xscripts/gen-sfs-ano11
1 files changed, 6 insertions, 5 deletions
diff --git a/scripts/gen-sfs-ano b/scripts/gen-sfs-ano
index 1b2e8374..0b2fa5b5 100755
--- a/scripts/gen-sfs-ano
+++ b/scripts/gen-sfs-ano
@@ -48,7 +48,7 @@ use strict;
my \$line;
open(FILE, "${PDB}-temp1.hkl");
-printf(" h k l I phase sigma(I) counts fs/px ss/px\\n");
+printf(" h k l I phase sigma(I) nmeas\n");
while ( \$line = <FILE> ) {
@@ -59,12 +59,13 @@ while ( \$line = <FILE> ) {
my \$l = \$3;
my \$iplus = \$4*\$4; # Square to convert F->I
my \$iminus = \$5*\$5;
+ my \$sigi = 0.0;
- printf("%3i %3i %3i %10.2f - 0.0 %s %7i %6.1f %6.1f\n",
- \$h, \$k, \$l, \$iplus, 1, 0.0, 0.0);
+ printf("%4i %4i %4i %10.2f %s %10.2f %7i\n",
+ \$h, \$k, \$l, \$iplus, " -", \$sigi, 1);
- printf("%3i %3i %3i %10.2f - 0.0 %s %7i %6.1f %6.1f\n",
- -\$h, -\$k, -\$l, \$iminus, 1, 0.0, 0.0);
+ printf("%4i %4i %4i %10.2f %s %10.2f %7i\n",
+ -\$h, -\$k, -\$l, \$iminus, " -", \$sigi, 1);
} else {
printf(STDERR "Couldn't understand line '%s'\n", \$line);