scripts/create-mtz


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#!/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