need goodness of fit data name?

[rowlesmr]

From making an example CIF...

There exists _pd_proc_ls.prof_R_factor, _pd_proc_ls.prof_wR_factor, and _pd_proc_ls.prof_wR_expected.

The only place to stor a goodness of fit is in _refine_ls.goodness_of_fit_all, whose definition doesn't really fit it for powder, even if the value looks like it should.

Should we make _pd_proc_ls.prof_gof_factor?

Also saves having to make _refine_ls.diffractogram_id.

[jamesrhester]

Not sure a per-profile GOF is well-defined unless there is only one profile.