_diffrn_radiation_wavelength.type, xray_symbol

[James H]

There having been no comments against this in the preceding year, I declare
it accepted. I really must try to move these things on faster. Volunteers
to become chair welcome.

On Wed, 11 Mar 2020 at 11:45, James Hester <jamesrhester at gmail.com> wrote:

> Dear CoreDMG,
>
> As per the issue raised at https://github.com/COMCIFS/cif_core/issues/168
> , there are around 800 CIF files in the Crystallographic Open Database
> (COD) that incorrectly loop _diffrn_radiation_type in the
> _diffrn_radiation_wavelength loop, although the DDL1 (and DDLm)
> dictionaries state that these data names belong to separate categories. The
> reason for doing this is understandable - for example, if you want to
> identify that there is contamination by Kbeta, then you might use two
> distinct labels for _diffrn_radiation_type (K\alpha and K\beta) and
> logically these would be attached to the particular wavelengths. I
> interpret this as suggesting we need to improve this part of the dictionary.
>
> Unfortunately we cannot just move _diffrn_radiation.type into the
> _diffrn_radiation_wavelength category, where it probably should have been
> from the start, because there are 230 COD CIF files where the authors have
> done the right thing (insight from other databases welcome of course) and
> making previously correct CIF files incorrect is Not What We Do.
>
> Therefore I suggest we:
> (1) add new datanames _diffrn_radiation_wavelength.type and
> _diffrn_radiation_wavelength.xray_symbol to the diffrn_radiation_wavelength
> category, with identical definitions to their current _diffrn_radiation
> definitions
> (2) deprecate _diffrn_radiation.xray_symbol and _diffrn_radiation.type
>
> Thoughts?
>
> James.
> --
> T +61 (02) 9717 9907
> F +61 (02) 9717 3145
> M +61 (04) 0249 4148
>


-- 
T +61 (02) 9717 9907
F +61 (02) 9717 3145
M +61 (04) 0249 4148
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