diff options
| author | Thomas White <taw@physics.org> | 2010-06-29 15:42:41 +0200 |
|---|---|---|
| committer | Thomas White <taw@physics.org> | 2012-02-22 15:26:51 +0100 |
| commit | c12fd8e9a527892d5a85d89ff0b7ae8085611a63 (patch) | |
| tree | d1ed1e0e676911d0b81de9729c7f9bbf61cfc159 | |
| parent | 5e049788c7e2e8177ecbf4eb64f65f314dce783b (diff) | |
Introduce scripts/create-mtz for importing data into CCP4
| -rwxr-xr-x | scripts/create-mtz | 16 |
1 files changed, 16 insertions, 0 deletions
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 |