Yup. cphasematch
It gives unweighted and weighted mean phase errors and F and E
correlations. It'll also try the opposite hand if appropriate.
It's in the GUI under Clipper utilities.
For an example script, run it in the GUI and then view the command file.
Kevin
Winter, G (Graeme) wrote:
Hi CCP4BB,
Is there a straightforward way to compute the mean phase difference
between two phase columns in an MTZ file, allowing for the difference in
the origin? I am thinking something like:
Cad together two reflection files - renaming the PHIB column, most likely
Compute phi offset - apply to get the origins the same
Compute the r.m.s. phase difference in degrees etc.
Also - is there a general feeling as to how useful this is for comparing
the results of phasing between different packages? I was thinking that
PHI_ref could be computed fom the final refined structure, if this is
available, as a benchmark. Alternatively is there a "correct" way to be
doing things like this?
An example script would be really great…
Thanks,
Graeme
