Assembling the complete article
Strickland, P. R.,
Hoyland, M. A. and
McMahon, B.,
International Tables for Crystallography
(2006).
Vol. G,
Section 5.7.2.1,
p.
[ doi:10.1107/97809553602060000757 ]
that are not normally published by the journal (see Sections
5.7.2.3 and 3.2.5.5).
References
Bernstein, H. J. (1998). cif2cif. CIF copy program. http://www.iucr.org/iucr-top/cif/software/ciftbx/cif2cif.src/
. Google ...
Data validation
Strickland, P. R.,
Hoyland, M. A. and
McMahon, B.,
International Tables for Crystallography
(2006).
Vol. G,
Section 5.7.2.5,
p.
[ doi:10.1107/97809553602060000757 ]
in Section
5.7.2.6 below.
References
Allen, F. H., Kennard, O., Motherwell, W. D. S., Town, W. G., Watson, D. G., Scott, T. J. & Larson, A. C. (1974). The Cambridge Crystallographic Data Centre, part 3. The unique ...
Reporting multiple structures and using templates
Strickland, P. R.,
Hoyland, M. A. and
McMahon, B.,
International Tables for Crystallography
(2006).
Vol. G,
Section 5.7.2.2,
p.
[ doi:10.1107/97809553602060000757 ]
several data blocks (because it reports multiple structures), using a distinct data block for the text of the article is the most natural way of organizing the contents of the file. Fig.
5.7.2.1 shows the structure of a CIF that describes several ...
Publication
Strickland, P. R.,
Hoyland, M. A. and
McMahon, B.,
International Tables for Crystallography
(2006).
Vol. G,
Section 5.7.2.8,
p.
[ doi:10.1107/97809553602060000757 ]
...
Automated data validation: checkcif
Strickland, P. R.,
Hoyland, M. A. and
McMahon, B.,
International Tables for Crystallography
(2006).
Vol. G,
Section 5.7.2.6,
p.
[ doi:10.1107/97809553602060000757 ]
of analytic tests on structural chemistry and molecular geometry based on the program PLATON (Spek, 2003).
The checks carried out at the time of publication (2005) are listed in Appendix
5.7.2 and on the CD-ROM accompanying this volume ...
Previewing the article
Strickland, P. R.,
Hoyland, M. A. and
McMahon, B.,
International Tables for Crystallography
(2006).
Vol. G,
Section 5.7.2.4,
p.
[ doi:10.1107/97809553602060000757 ]
...
Submission and review
Strickland, P. R.,
Hoyland, M. A. and
McMahon, B.,
International Tables for Crystallography
(2006).
Vol. G,
Section 5.7.2.7,
p.
[ doi:10.1107/97809553602060000757 ]
...
Adding extra information to an article
Strickland, P. R.,
Hoyland, M. A. and
McMahon, B.,
International Tables for Crystallography
(2006).
Vol. G,
Section 5.7.2.3,
p.
[ doi:10.1107/97809553602060000757 ]
To check this, the author can generate a preview of the formatted paper by using the printcif service, described in Section
5.7.2.4.
Two examples of this approach are shown in Fig.
5.7.2.2 . Atom-site positions and displacement ...
Case study: the fully automated reporting of small-unit-cell crystal structures
Strickland, P. R.,
Hoyland, M. A. and
McMahon, B.,
International Tables for Crystallography
(2006).
Vol. G,
Section 5.7.2,
p.
[ doi:10.1107/97809553602060000757 ]
that are not normally published by the journal (see Sections
5.7.2.3 and 3.2.5.5).
5.7.2.2. Reporting multiple structures and using templates
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In CIF format, a data name cannot be repeated within a data block ...
