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-rwxr-xr-xscripts/create-mtz7
1 files changed, 4 insertions, 3 deletions
diff --git a/scripts/create-mtz b/scripts/create-mtz
index c8852515..684914a8 100755
--- a/scripts/create-mtz
+++ b/scripts/create-mtz
@@ -23,13 +23,14 @@ if [ -e $TMPFILE -o -e $OUTFILE ]; then
fi
+# PS1: CELL 281 281 165.2 90 90 120
# Start by putting the CrystFEL intensities into an MTZ file
echo "Running 'f2mtz'..."
f2mtz HKLIN $1 HKLOUT $TMPFILE > out.html << EOF
TITLE Reflections from CrystFEL
NAME PROJECT wibble CRYSTAL wibble DATASET wibble
-CELL 281 281 165.2 90 90 120
-SYMM P63
+CELL 139 232 309 90 90 90
+SYMM P1
SKIP 1
LABOUT H K L IMEAN SIGIMEAN
CTYPE H H H J Q
@@ -37,7 +38,7 @@ FORMAT '(F3.0,1X,F3.0,1X,F3.0,1X,F10.2,10X,F10.2)'
EOF
if [ $? -ne 0 ]; then echo "Failed."; exit; fi
-
+exit 0
# Get the unit cell contents
echo "Running 'rwcontents'..."