COMCIFS / Powder_Dictionary

CIF definitions for powder diffraction
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_pd_proc_ls.weight is supposed to be looped? #33

Closed rowlesmr closed 1 year ago

rowlesmr commented 1 year ago

The definition of _pd_proc_ls.weight reads as though it is meant to be looped with profile intensities, but PD_PROC_LS is a Set category

Weight applied to each profile point. These values may be omitted if the weights are 1/u^2^, where u is the s.u. for the _pd_proc.intensity_net values. A weight value of zero is used to indicate a data point not used for refinement (see _pd_proc.info_excluded_regions).

jamesrhester commented 1 year ago

Good catch. This should be reassigned to the pd_proc category (with no change of data name). I will do this as a straight edit to the dictionary as it is so small.