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authorThomas White <taw@physics.org>2011-04-21 14:45:06 +0200
committerThomas White <taw@physics.org>2012-02-22 15:27:24 +0100
commitdc0e8347b99d75e2b66fe8c72d0f2e3ae8e2f244 (patch)
tree5ce523591acbc4927480594cd0870c914274b2fe
parent36559cf8962b6b622857f8ed1a7d72891d0821c5 (diff)
Fix scripts/create-mtz for new format
-rwxr-xr-xscripts/create-mtz3
1 files changed, 2 insertions, 1 deletions
diff --git a/scripts/create-mtz b/scripts/create-mtz
index edd55933..8ee35eac 100755
--- a/scripts/create-mtz
+++ b/scripts/create-mtz
@@ -35,7 +35,7 @@ SYMM P1
SKIP 1
LABOUT H K L IMEAN SIGIMEAN
CTYPE H H H J Q
-FORMAT '(F3.0,1X,F3.0,1X,F3.0,1X,F10.2,10X,F10.2)'
+FORMAT '(F8.0,1X,F8.0,1X,F8.0,1X,F20.2,1X,F20.2)'
EOF
if [ $? -ne 0 ]; then echo "Failed."; exit; fi
@@ -53,6 +53,7 @@ if [ $? -ne 0 ]; then echo "Failed."; exit; fi
echo "Running 'truncate'..."
truncate HKLIN $TMPFILE HKLOUT $OUTFILE >> out.html << EOF
TRUNCATE NO
+NOHARVEST
LABIN H=H K=K L=L IMEAN=IMEAN SIGIMEAN=SIGIMEAN
LABOUT H=H K=K L=L IMEAN=IMEAN SIGIMEAN=SIGIMEAN F=F SIGF=SIGF
CONTENTS C 16938 N 3310 O 3548 MG 96 P 3 S 89 CA 1 FE 12 H 17645