Core dictionary (coreCIF) version 2.4.5

Category PUBL_MANUSCRIPT_INCL

Name:
'_publ_manuscript_incl_[]'

Definition:

   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.

Examples:

Example 1 - directive to include a hydrogen-bonding table, including cosmetic headings in comments.

 
    loop_
    _publ_manuscript_incl_extra_item
    _publ_manuscript_incl_extra_info
    _publ_manuscript_incl_extra_defn
    #
    # 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.

 
    loop_
    _publ_manuscript_incl_extra_item
    _publ_manuscript_incl_extra_info
    _publ_manuscript_incl_extra_defn
      '_atom_site_site_symmetry_multiplicity'
                         'to emphasise special sites'      yes
      '_chemical_compound_source'
                         'rare material, unusual source'   yes
      '_reflns_d_resolution_high'
                         'limited data is a problem here'  yes
      '_crystal_magnetic_permeability'
                         'unusual value for this material'  no

Type: null

Category: category_overview

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Crystallographic Information Framework

Core dictionary (coreCIF) version 2.4.5

Category PUBL_MANUSCRIPT_INCL

International Tables for Crystallography

Volume G: Definition and exchange of crystallographic data

Edited by S. R. Hall and B. McMahon

IUCrData