This would not be the first neutron study to appear in Section C so presumably other authors were not so squeamish about using the existing data items in the cif submission. Nevertheless, these data items were intended for x-ray studies, so possibly new items are needed for neutron and electron diffraction studies. One should note however that the definition... data_diffrn_radiation_probe _name '_diffrn_radiation_probe' _category diffrn_radiation _type char _list both _list_reference '_diffrn_radiation_wavelength_id' loop_ _enumeration x-ray neutron electron gamma _definition ; Name of the type of radiation used. It is strongly encouraged that this field be specified so that the probe radiation can be simply determined. ; identifies the radiation type, so that the possibility also exists for making the units of _refine_diff_density_min and _max implicit.... though this could prove messy if one was searching a cif archive just on these items. Its highly likely that other definitions would be needed as well... noting that all of the _refln_F_* items are defined in electrons at the moment. And of course with the increasing use of electron diffraction there will be a need for structure factor coefficients etc. in Volts as well. My inclination would be use the existing definitions in a generic fashion with the units linked to the radiation employed... its simpler and would avoid the triplication (more perhaps) of all radiation-dependent items. On the other hand my point of view is more that of an author and user rather than an archivalist... and readily admit that from a publisher's point of view the assignment of units to generic data items is not as straightforward as is possible with explicit definitions. Cheers, Syd.
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