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Re: Version 0.9.0 sent to COMCIFS for review ....

Jiansheng Jiang (jiang@bach.pdb.bnl.gov)
Thu, 30 Jan 1997 22:16:35 -0500 

Dear John,

Still I could not find the PDB subset
cif for SF from mmCIF 0.9.0.

>  _phasing_MIR_refln.der_id   . . . . . . . . . . . . . .    74
>  _phasing_MIR_refln.F_calc   . . . . . . . . . . . . . .    79
>  _phasing_MIR_refln.F_calc_au  . . . . . . . . . . . . .    85
>  _phasing_MIR_refln.F_meas   . . . . . . . . . . . . . .    91    99   104
>  _phasing_MIR_refln.F_meas_au  . . . . . . . . . . . . .    95
>  _phasing_MIR_refln.F_meas_sigma   . . . . . . . . . . .    98
>  _phasing_MIR_refln.F_meas_sigma_au  . . . . . . . . . .   103
>  _phasing_MIR_refln.index_h  . . . . . . . . . . . . . .   108
>  _phasing_MIR_refln.index_k  . . . . . . . . . . . . . .   112
>  _phasing_MIR_refln.index_l  . . . . . . . . . . . . . .   116
>  _phasing_MIR_refln.phase_calc   . . . . . . . . . . . .   120

In the mmCIF 0.9.0

save__phasing_MIR_der.id
    _item_description.description
;              The value of _phasing_MIR_der.id must uniquely identify
               a record in the PHASING_MIR_DER list.

               Note that this item need not be a number; it can be any unique
               identifier.
;
     loop_
    _item.name
    _item.category_id
    _item.mandatory_code
               '_phasing_MIR_der.id'            phasing_MIR_der        yes
               '_phasing_MIR_der_refln.der_id'  phasing_MIR_der_refln  yes
               '_phasing_MIR_der_shell.der_id'  phasing_MIR_der_shell  yes
               '_phasing_MIR_der_site.der_id'   phasing_MIR_der_site   yes
     loop_
    _item_linked.child_name
    _item_linked.parent_name
               '_phasing_MIR_der_refln.der_id'  '_phasing_MIR_der.id'
               '_phasing_MIR_der_shell.der_id'  '_phasing_MIR_der.id'
               '_phasing_MIR_der_site.der_id'   '_phasing_MIR_der.id'
    _item_type.code               line
     loop_
    _item_examples.case          'KAu(CN)2'
                                 'K2HgI4_anom'
                                 'K2HgI4_iso'

Are you planning to include PDB's subset for MIR phasing data?
What this means
               '_phasing_MIR_der_refln.der_id'  phasing_MIR_der_refln  yes

regards,
Jiang.


-- 
====================================================================
Jiansheng Jiang Ph.D.          | 
Protein Data Bank              | Phone: (516) 344-6388            
Biology Department, Bldg 463   | Fax:   (516) 344-5751
Brookhaven National Laboratory | mailto://jiang@bnl.gov
Upton NY 11973-5000, USA       | http://www.pdb.bnl.gov/~jiang  
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