DDLm Powder CIF dictionary for your approval

[James Hester]

Dear COMCIFS,

The DDLm version of the CIF Powder dictionary has now been discussed in the
pd DMG.

Your approval is sought for the following 3 items (3 week consideration
period):
(1) The main powder CIF DDLm dictionary. The text version of the dictionary
is found at
https://github.com/COMCIFS/cif_core/blob/cif2-conversion/cif_pow.dic, with
an HTML summary version available at
http://comcifs.github.io/cif_pow.dic.html
(2) An extension dictionary allowing '_pd_refln.phase_id' to become an
additional key dataname in the core CIF HKL reflection list (category
REFLN). The (very short) extension dictionary is found at
https://github.com/COMCIFS/cif_core/blob/cif2-conversion/cif_pow_multiphase.dic
(text) and http://comcifs.github.io/cif_pow_multiphase.dic.html (HTML
overview)
(3) Adding an enumerated value of 'Multiphase' to the list of possible
_audit.schema values to support (2)

Note the following aspects of this dictionary:
(1) A few datanames are not in <category>.<name> form. This is due to the
legacy nature of DDL1 pdCIF, which as I understand it was developed before
the category system was fully articulated.  Datanames in old and new
dictionaries are identical modulo conversion of all non-alphanumeric
characters to underscores. This should simplify updating and creating
software that reads from pdCIF files constructed according to old and new
dictionaries.
(2) The grouping of DDL1 pd_proc, pd_meas and pd_calc datanames into one
overall pd_data category in order to allow arbitrary tabulations of various
datanames from each category together with one another has been replicated
in the DDLm dictionary by using parent-child categories. This has allowed a
lot more of the DDLm datanames to become true <category>.<name> datanames.
(3) The cif_pow_multiphase extension dictionary will be the first official
extension dictionary + _audit.schema value approved by COMCIFS.  This
dictionary is required in order to replicate relatively widespread pdCIF
behaviour.  I would appreciate it if those of you with an interest in how
this extension system works satisfy yourselves that I have deployed it
properly.

best wishes,
James
-- 
T +61 (02) 9717 9907
F +61 (02) 9717 3145
M +61 (04) 0249 4148
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