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


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