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COMCIFS / Powder_Dictionary

CIF definitions for powder diffraction
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add ability to record number of refined parameters #41

Closed rowlesmr closed 1 year ago

rowlesmr commented 1 year ago

Add the ability to record the number of refined parameters for a Rietveld refinement.

Thought this could be handy.

jamesrhester commented 1 year ago

How does this quantity differ from _refine_ls.number_parameters? Is it per-histogram or per-phase perhaps?

rowlesmr commented 1 year ago

I don't know how I missed that!

From what I can see, it doesn't vary at all. The scope isn't really defined in _refine_ls.number_parameters, in a histogram, it would pertain to that histogram, in data_overall it would pertain to all data; counting parameters also gets a little hairy when you've got combined refinements and parameterisation and constraints/restraints...

We should just use that one.