add PD_PEAK_PHASE_MAP

[rowlesmr]

Allows a mapping of peak to phase for each diffractogram. Three keys, as for any given peak in any given diffractogram, at least one phase will contribute, so phase_id can't simply be a non-key data name

[jamesrhester]

Allows a mapping of peak to phase for each diffractogram. Three keys, as for any given peak in any given diffractogram, at least one phase will contribute, so phase_id can't simply be a non-key data name

I think of it like a peak and a diffractogram are not enough to uniquely determine phase as more than one phase could contribute.

What I'm not sure about here is the reason for this category. Any reflection appearing in REFLN will have a phase, diffractogram and peak associated with it.

Maybe this category is for assigning phases to peaks where no indexing has been done?

[rowlesmr]

Maybe this category is for assigning phases to peaks where no indexing has been done?

Yes. If there is no mapping of peak <-> refln, this provides a way to assign peak to phase.

[rowlesmr]

I'm downgrading this to a draft pr, given that we have incoming corrections for publication.

Also, refln data means can be used to do the same thing