From c12fd8e9a527892d5a85d89ff0b7ae8085611a63 Mon Sep 17 00:00:00 2001
From: Thomas White <taw@physics.org>
Date: Tue, 29 Jun 2010 15:42:41 +0200
Subject: Introduce scripts/create-mtz for importing data into CCP4

---
 scripts/create-mtz | 16 ++++++++++++++++
 1 file changed, 16 insertions(+)
 create mode 100755 scripts/create-mtz

diff --git a/scripts/create-mtz b/scripts/create-mtz
new file mode 100755
index 00000000..6d38f704
--- /dev/null
+++ b/scripts/create-mtz
@@ -0,0 +1,16 @@
+#!/bin/sh
+
+f2mtz HKLIN $1 HKLOUT $1.mtz << EOF
+
+TITLE Reflections from CrystFEL
+NAME PROJECT wibble CRYSTAL wibble DATASET wibble
+
+CELL 281 281 165.2  90  90 120
+SYMM P63
+
+SKIP 2
+LABOUT H   K  L   I      SIGMA
+CTYPE  H   H  H   J      Q
+FORMAT '(F3.0, 1X, F3.0, 1X, F3.0, 1X, F10.2, 3X, F10.2, 1X, F11.2)'
+
+EOF
-- 
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