aboutsummaryrefslogtreecommitdiff
path: root/scripts/create-mtz
diff options
context:
space:
mode:
Diffstat (limited to 'scripts/create-mtz')
-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