dunten at onyx.bmc.uu.se
Wed Apr 24 12:59:40 EST 1996
>DOES ANYONE KNOW OF A PROGRAM WHICH WILL CONVERT A MOSFLM PROCESSED P1
>DATA SET AND CONVERT IT TO A HIGHER ORDER SPACEGROUP, i.e P2?
>yesterday i asked if anyone knew of a program which would
>change the spacegroup of a data set. the CCP4 program "REINDEX" was
>called to my attention.
This is not a reindexing problem, it is a problem of merging
the symmetry-related reflections, taking into account the proper spacegroup.
There seem to be 2 possibilities.
1) Merge the data using scala and agrovata. You'll have more symmetry-
related reflections in P2 than in P1, improving the scaling.
2) Throw away half the data, with for example sftools, keeping only one
set of the unique reflections. I don't recommend this option, even if it
is much faster.
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