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(51) Approval of extended Core - update

  • To: [email protected]
  • Subject: (51) Approval of extended Core - update
  • From: bm
  • Date: Tue, 15 Oct 1996 10:39:04 +0100
Dear Colleagues

I have still to receive formal approval from a small number of you. I'd be
grateful for an early response. In the Meantime, thanks go to Paul Edgington
and Gotzon Madariage for bringing a few points to my attention. These have
resulted in the attached changes to the working draft.

Regards
Brian


*** c96.021096	Tue Oct 15 10:25:25 1996
--- cif_core.dic	Tue Oct 15 10:35:14 1996
***************
*** 194,200 ****
                   and likewise for *_B_* to increase the consistency of
                   abbreviations, as suggested by I.D. Brown
                 Added disorder example to the ATOM_SITE category description
! 
  ;
  
  ###############
--- 194,206 ----
                   and likewise for *_B_* to increase the consistency of
                   abbreviations, as suggested by I.D. Brown
                 Added disorder example to the ATOM_SITE category description
!    1996-10-15  BMcM:
!                Modified description of example for DIFFRN_REFLN
!                Changed _enumeration_range of atom_site_attached_hydrogens
!                  from 0:4 to 0:8 (cf CSD entry with refcode DUTMAG01) (PRE)
!                Added '_enumeration_default cif' to _publ_body_format
!                Changed underscores to spaces in the example for the Hall
!                  spacegroup symbol in data_symmetry_[]
  ;
  
  ###############
***************
*** 420,426 ****
      _type                        numb
      _list                        yes
      _list_reference            '_atom_site_label'
!     _enumeration_range           0:4
      _enumeration_default         0
      loop_ _example
            _example_detail        2    'water oxygen'
--- 426,432 ----
      _type                        numb
      _list                        yes
      _list_reference            '_atom_site_label'
!     _enumeration_range           0:8
      _enumeration_default         0
      loop_ _example
            _example_detail        2    'water oxygen'
***************
*** 3790,3797 ****
      # - - - - data truncated for brevity - - - -
  ;
  ;
!     Example 1 - extracted from the CAD-4 listing of Rb~2~S~2~O~6~ at room
!                 temperature (not yet published).
  ;
  # - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - -
      _definition
--- 3796,3803 ----
      # - - - - data truncated for brevity - - - -
  ;
  ;
!     Example 1 - extracted from the CAD-4 listing of Tl~2~Cd~2~(SO~4~)~3~ at
!                 85 K (unpublished).
  ;
  # - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - -
      _definition
***************
*** 6131,6136 ****
--- 6137,6143 ----
                                   sgml    'SGML (ISO 8879)'
                                   tex     'TeX'
                                   troff   'troff or nroff'
+     _enumeration_default         cif
      _definition
  ;              Code indicating the appropriate typesetting conventions
                 for accented characters and special symbols in the text
***************
*** 7533,7539 ****
  ;
      _symmetry_cell_setting             orthorhombic
      _symmetry_space_group_name_H-M     'P 21 21 21'
!     _symmetry_space_group_name_Hall    P_2ac_2ab
  ;
  ;
      Example 1 - based on data set TOZ of Willis, Beckwith & Tozer [(1991).
--- 7540,7546 ----
  ;
      _symmetry_cell_setting             orthorhombic
      _symmetry_space_group_name_H-M     'P 21 21 21'
!     _symmetry_space_group_name_Hall    'P 2ac 2ab'
  ;
  ;
      Example 1 - based on data set TOZ of Willis, Beckwith & Tozer [(1991).