cphasematch will do that for you. Pick the "Phase comparison" task from
the clipper-utilities moledule. Select the 'Match origin and hand'
button, and an output MTZ box appears.
It'll work out the shift for you, as long as you have some sort of
phases for both cases.
This'll only work though if the cell constants are close enough that you
can actually merge the MTZ's sensibly. If that is not the case, you are
really looking at a cross-crystal averaging calculation.
Jianghai Zhu wrote:
Hi All,
I have a data set with experimental phases. I would like to shift the
origin of the phases so that it matches the origin of another data set
and phases, which has different cell constants. Any suggestion of what
tools has the ability to do this? i.e. shift the origin by (0.0, 0.0,
0.5). Thanks.
-- Jianghai
