From 30012bfefa8c388c86b1fe0078fc3665798cfcc8 Mon Sep 17 00:00:00 2001
From: Thomas White <taw@physics.org>
Date: Thu, 11 Nov 2010 17:11:45 +0100
Subject: Update scripts

---
 scripts/create-mtz | 7 ++++---
 1 file changed, 4 insertions(+), 3 deletions(-)

(limited to 'scripts/create-mtz')

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'..."
-- 
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