diff options
| author | Thomas White <taw@physics.org> | 2012-03-06 16:10:53 +0100 |
|---|---|---|
| committer | Thomas White <taw@physics.org> | 2012-03-06 16:10:53 +0100 |
| commit | d21f2eb608431cd11b93aa96de3c792713829b44 (patch) | |
| tree | 4cd0cf3c4e7efd52d58ecad38b1a1b35b92d4508 /scripts | |
| parent | 3710defb709b7ab33ae7849873c4fb62de96e138 (diff) | |
Don't include 1/d in reflection lists, because it's pointless
Diffstat (limited to 'scripts')
| -rwxr-xr-x | scripts/gen-sfs | 8 | ||||
| -rwxr-xr-x | scripts/gen-sfs-ano | 7 |
2 files changed, 6 insertions, 9 deletions
diff --git a/scripts/gen-sfs b/scripts/gen-sfs index bf86fb01..619ac08f 100755 --- a/scripts/gen-sfs +++ b/scripts/gen-sfs @@ -50,8 +50,7 @@ use strict; my \$line; open(FILE, "${PDB}-temp.hkl"); -printf(" h k l I phase sigma(I) 1/d(nm^-1) ". - "counts fs/px ss/px\\n"); +printf(" h k l I phase sigma(I) counts fs/px ss/px\\n"); while ( \$line = <FILE> ) { @@ -63,9 +62,8 @@ while ( \$line = <FILE> ) { my \$intensity = \$4*\$4; # Square to convert F->I my \$phase = \$5; - printf("%3i %3i %3i %10.2f %8.2f %10.2f %s %7i %6.1f %6.1f\n", - \$h, \$k, \$l, \$intensity, \$phase, 0.0, - " -", 1, 0.0, 0.0); + printf("%3i %3i %3i %10.2f %8.2f %10.2f %7i %6.1f %6.1f\n", + \$h, \$k, \$l, \$intensity, \$phase, 0.0, 1, 0.0, 0.0); } else { printf(STDERR "Couldn't understand line '%s'\n", \$line); diff --git a/scripts/gen-sfs-ano b/scripts/gen-sfs-ano index 522e0a6d..05eb69d2 100755 --- a/scripts/gen-sfs-ano +++ b/scripts/gen-sfs-ano @@ -48,8 +48,7 @@ use strict; my \$line; open(FILE, "${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 = <FILE> ) { @@ -62,10 +61,10 @@ while ( \$line = <FILE> ) { 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); |