Thanks. Unfortunately, the space groups are different and cell
constants are not that close to each other. The phases are actually
from a cross-crystal averaging calculation. But the origins are
different.
-- Jianghai
On Jun 6, 2008, at 12:31 PM, Kevin Cowtan wrote:
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
