[phenixbb] XDS files in Phenix - and why not?
rwgrosse-kunstleve at lbl.gov
Fri Jun 10 09:34:21 PDT 2011
> In addition, if the experimental data (such as merged or unmerged SCALEPACK
> output) is feed into PHENIX it can be used directly for refinement or for
> the structure determination used on anomalous data or else. Tom will correct
> me if I am wrong, but there is a local scaling hiding somewhere inside
> Solve-Resolve which may produce significantly better scaled data.
Solve includes local scaling.
Integrating solve algorithms is technically a little involved (it used to be
a Fortran program and was converted only recently; but we still have some
ways to go modularizing the algorithms it contains).
> I do not see why the same can not be done with XDS data.
Yes... sigh... if only we didn't have the other about 10k similarly
important things waiting for us.
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