#!/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