Crystallographic Information Framework

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Index

Macromolecular dictionary (mmCIF) version 2.0.09

Category PUBL_BODY

Name:
'publ_body'

Description:

   Data items in the PUBL_BODY category permit the labelling of
   different text sections within the body of a paper.
   Note that these should not be used in a paper which has
   a standard format with sections tagged by specific data names
   (such as in Acta Crystallographica Section C). Typically,
   each journal will supply a list of the specific items it
   requires in its Notes for Authors.

Examples:

Example 1 - based on a paper by R. Restori & D. Schwarzenbach [Acta Cryst. (1996), A52, 369-378].
 
    loop_
    _publ_body.element
    _publ_body.label
    _publ_body.title
    _publ_body.format
    _publ_body.contents

         section   1         Introduction                    cif
    ; X-ray diffraction from a crystalline material provides
      information on the thermally and spatially averaged
      electron density in the crystal...
    ;
         section   2         Theory                          tex
    ; In the rigid-atom approximation, the dynamic electron
      density of an atom is described by the convolution
      product of the static atomic density and a probability
      density function,
      $\rho_{dyn}(\bf r) = \rho_{stat}(\bf r) * P(\bf r). \eqno(1)$
    ;



Example 2 - based on a paper by R. J. Papoular, Y. Vekhter & P. Coppens [Acta Cryst. (1996), A52, 397-407].
 
    loop_
    _publ_body.element
    _publ_body.label
    _publ_body.title
    _publ_body.contents

         section     3
    ; The two-channel method for retrieval of the deformation
      electron density
    ;
         .
         subsection  3.1  'The two-channel entropy S[\D\r(r)]'
    ; As the wide dynamic range involved in the total electron
      density...
    ;
         subsection  3.2
    'Uniform vs informative prior model densities'        .
         subsubsection  3.2.1  'Use of uniform models'
    ; Straightforward algebra leads to expressions analogous
      to...
    ;



Category groups:
    inclusive_group
    iucr_group
Category keys:
    _publ_body.element
    _publ_body.label

Mandatory category: no