Fwd: Items for fast track COMCIFS approval

[jim kaduk]

I approve these two changes.  When current practice gets ahead of the
definitions, it is wise to expand the choices available!
 
Jim Kaduk 
 


 On March 20, 2011 at 9:25 PM James Hester <jamesrhester at gmail.com> wrote:


>  Dear COMCIFS,
> 
>  The following changes to the core dictionary have been approved without
> comment by the coreCIF dictionary maintenance group.  According to our
> procedures they are now ready for final COMCIFS discussion and approval. 
> Following any discussion that may take place, COMCIFS voting members are asked
> to vote to either approve or reject these changes.  Failure to vote will be
> considered a vote to approve if a member has not voted within six weeks of
> today's date.
> 
>  James.
> 
> 
> 
>  -------- Original Message -------- Subject:Items for fast track approval
> Date:Fri, 04 Feb 2011 10:30:03 -0500
> From:David Brown
> To:Distribution list of the IUCr COMCIFS Core Dictionary Maintenance Group
> <coredmg at iucr.org> [mailto:coredmg at iucr.org]
> 
> 
>  Dear Colleagues,
> 
> 
>  We have had two suggestions for fast track changes to the core CIF
> dictionary.
> 
>  These are:
> 
>  1. A new enumeration value for _atom_sites_solution_:
> 
>                'iterative'
> 
>  which may be defined as:
> 
>  'iterative algorithm, e.g. charge flipping (Oszlanyi and Suto, 2004. Acta
> Cryst. A60, 134-141)'
> 
>  (Contributed by Arie van der Lee)
>   
> 
> 
>  2. A new enumeraton value for _atom_sites_solution_hydrogens,
> 
>                'mixed'
> 
>  which may be defined as:
> 
>  'a mixture of "geom" and "difmap"'
> 
>  This enumeration is currently widely, though illegaly, used.  As validating
> programs become increasingly strict in their interpretation of CIF rules, this
> enumeration will have to be added to ensure that the archive of CIFs can be
> properly read.
> 
>  Contriburted by David Watkin
> 
>  --
>  T +61 (02) 9717 9907
>  F +61 (02) 9717 3145
>  M +61 (04) 0249 4148
>
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