Crystallographic Information Framework

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Core dictionary (coreCIF) version 2.4.5




   Data items in the PUBL_MANUSCRIPT_INCL category allow
   the authors of a manuscript submitted for publication to list
   data names that should be added to the standard request list
   used by the journal printing software. Although these fields are
   primarily intended to identify CIF data items that the author
   wishes to include in a published paper, they can also be used
   to identify data names created so that non-CIF items can be
   included in the publication. Note that *_item names MUST be
   enclosed in single quotes.


Example 1 - directive to include a hydrogen-bonding table, including cosmetic headings in comments.
    # Include Hydrogen Bonding Geometry Description
    # =============================================
    # Name                             explanation    standard?
    # ----                             -----------    ---------
      '_geom_hbond_atom_site_label_D'  'H-bond donor'     yes
      '_geom_hbond_atom_site_label_H'  'H-bond hydrogen'  yes
      '_geom_hbond_atom_site_label_A'  'H-bond acceptor'  yes
      '_geom_hbond_distance_DH'        'H-bond D-H'       yes
      '_geom_hbond_distance_HA'        'H-bond H...A'     yes
      '_geom_hbond_distance_DA'        'H-bond D...A'     yes
      '_geom_hbond_angle_DHA'          'H-bond D-H...A'   yes

Example 2 - hypothetical example including both standard CIF data items and a non-CIF quantity which the author wishes to list.
                         'to emphasise special sites'      yes
                         'rare material, unusual source'   yes
                         'limited data is a problem here'  yes
                         'unusual value for this material'  no

Type: null

Category: category_overview