The CCP4 program UNIQUE does this. http://www.ccp4.ac.uk/html/unique.html
"UNIQUE creates a unique list of reflections for a given unit cell with a given symmetry up to a specified high resolution limit. The output file can be used to complete a dataset (i.e. to give an MTZ file with all allowed reflections present whether or not data have been measured for them), and to give completeness information on the measured dataset."
On 4/22/11 1:22 AM, Hailiang Zhang wrote:
Hi, Is there any ccp4 tool which can add a new reflection point (new hkl which was not in the existing mtz file) to the present mtz file? Thanks! Best Regards, Hailiang
