Xdsconv

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XDSCONV is the conversion program of the XDS suite.

Possible output formats are SHELX, CNS, MTZ (FIXME: which else).

The latest versions of the program do not require

SPACE_GROUP_NUMBER=
UNIT_CELL_PARAMETERS=

because these are picked up from the header of the input reflection file.

A typical input file might thus look like

INPUT_FILE=XDS_ASCII.HKL
INCLUDE_RESOLUTION_RANGE=50 1  ! optional 
OUTPUT_FILE=temp.hkl  CCP4    FRIEDEL'S_LAW=FALSE


More to come