Discussion List Archives

[Date Prev][Date Next][Thread Prev][Thread Next][Date Index][Thread Index]

Re: _chemical_formula[]

Peter has a good point with regard to _chemical_formula[] that should be 
borne in mind in relation to the work of the "group" coreCIFchem. The 
names need to indicate as precisely and succintly as possible the source 
of the information.

However I must say that I think that particularly bad in this respect 
are suffixes such as _meas and _calc because more or less everything we 
deal with comes from some sort of a measurement and has to be calculated 
to a greater or lesser extent. Much better are _analytical or 
_massspectrometry or _xraydiffraction .

> It will  eventually report to the coreCIF Dictionary Maintenance Group but at the moment it is still work in progress. 

   To be honest, the "group" desperately needs help from the likes of PMR.


In my opinion, further discussion on this point should be pushed off to 
the coreDMG or coreCIFchem list.
comcifs mailing list

Reply to: [list | sender only]
International Union of Crystallography

Scientific Union Member of the International Science Council (admitted 1947). Member of CODATA, the ISC Committee on Data. Partner with UNESCO, the United Nations Educational, Scientific and Cultural Organization in the International Year of Crystallography 2014.

International Science Council Scientific Freedom Policy

The IUCr observes the basic policy of non-discrimination and affirms the right and freedom of scientists to associate in international scientific activity without regard to such factors as ethnic origin, religion, citizenship, language, political stance, gender, sex or age, in accordance with the Statutes of the International Council for Science.