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Case study: the fully automated reporting of small-unit-cell crystal structures
International Tables for Crystallography (2006). Vol. G, Section 5.7.2, pp. 557-562 [ doi:10.1107/97809553602060000757 ]
... good' or `bad' on the basis of its final residual R factor alone has long been abandoned, but it may be ... pdf/PDFReference16.pdf . Allen, F. H., Johnson, O., Shields, G. P., Smith, B. R. & Towler, M. (2004). CIF applications. XV. enCIFer: a ...
Submission and review
International Tables for Crystallography (2006). Vol. G, Section 5.7.2.7, p. 562 [ doi:10.1107/97809553602060000757 ]
... International Tables for Crystallography (2006). Vol. G, ch. 5.7, p. 562 © International Union of Crystallography 2006 | home | resources | advanced search ...
Automated data validation: checkcif
International Tables for Crystallography (2006). Vol. G, Section 5.7.2.6, pp. 561-562 [ doi:10.1107/97809553602060000757 ]
... good' or `bad' on the basis of its final residual R factor alone has long been abandoned, but it may be ...
Data validation
International Tables for Crystallography (2006). Vol. G, Section 5.7.2.5, pp. 560-561 [ doi:10.1107/97809553602060000757 ]
... Cryst. 7, 73-78. Boulay, D. J. du & Hall, S. R. (1996). PREPUB. Pre-publication tests on CIF structural data. ... desc.html . Gabe, E. J., Le Page, Y., Charland, J.-P., Lee, F. L. & White, P. S. (1989). NRCVAX - an interactive program system for ...
Previewing the article
International Tables for Crystallography (2006). Vol. G, Section 5.7.2.4, pp. 559-560 [ doi:10.1107/97809553602060000757 ]
... and typesetting, Vol. A. Reading, MA: Addison-Wesley. Westrip, S. P. (2004). printCIF for Word. http://www.iucr.org/iucr-top/cif ...
Adding extra information to an article
International Tables for Crystallography (2006). Vol. G, Section 5.7.2.3, pp. 558-559 [ doi:10.1107/97809553602060000757 ]
Adding extra information to an article 5.7.2.3. Adding extra information to an article An article for publication in Acta Cryst. C or E is built from a standard request list of CIF data items. Among the items included in this list are ones that describe molecular geometry: bond and contact distances ...
Reporting multiple structures and using templates
International Tables for Crystallography (2006). Vol. G, Section 5.7.2.2, p. 558 [ doi:10.1107/97809553602060000757 ]
... 5.3 . References Allen, F. H., Johnson, O., Shields, G. P., Smith, B. R. & Towler, M. (2004). CIF applications. XV. enCIFer: a program ... Göttingen, Germany. http://shelx.uni-ac.gwdg.de/SHELX/ . Westrip, S. P. (2004). printCIF for Word. http://www.iucr.org/iucr-top/ ...
Assembling the complete article
International Tables for Crystallography (2006). Vol. G, Section 5.7.2.1, pp. 557-558 [ doi:10.1107/97809553602060000757 ]
... www.iucr.org/iucr-top/cif/software/ciftbx/cif2cif.src/ . Hall, S. R. & Sievers, R. (1993). CIF applications. I. QUASAR: for extracting data from ...
Publication
International Tables for Crystallography (2006). Vol. G, Section 5.7.2.8, p. 562 [ doi:10.1107/97809553602060000757 ]
... very fast. References Bruno, I. J., Cole, J. C., Edgington, P. R., Kessler, M., Macrae, C. F., McCabe, P., Pearson, J. & Taylor, R. (2002). New software for ...
International Tables for Crystallography (2006). Vol. G, Section 5.7.2, pp. 557-562 [ doi:10.1107/97809553602060000757 ]
... good' or `bad' on the basis of its final residual R factor alone has long been abandoned, but it may be ... pdf/PDFReference16.pdf . Allen, F. H., Johnson, O., Shields, G. P., Smith, B. R. & Towler, M. (2004). CIF applications. XV. enCIFer: a ...
Submission and review
International Tables for Crystallography (2006). Vol. G, Section 5.7.2.7, p. 562 [ doi:10.1107/97809553602060000757 ]
... International Tables for Crystallography (2006). Vol. G, ch. 5.7, p. 562 © International Union of Crystallography 2006 | home | resources | advanced search ...
Automated data validation: checkcif
International Tables for Crystallography (2006). Vol. G, Section 5.7.2.6, pp. 561-562 [ doi:10.1107/97809553602060000757 ]
... good' or `bad' on the basis of its final residual R factor alone has long been abandoned, but it may be ...
Data validation
International Tables for Crystallography (2006). Vol. G, Section 5.7.2.5, pp. 560-561 [ doi:10.1107/97809553602060000757 ]
... Cryst. 7, 73-78. Boulay, D. J. du & Hall, S. R. (1996). PREPUB. Pre-publication tests on CIF structural data. ... desc.html . Gabe, E. J., Le Page, Y., Charland, J.-P., Lee, F. L. & White, P. S. (1989). NRCVAX - an interactive program system for ...
Previewing the article
International Tables for Crystallography (2006). Vol. G, Section 5.7.2.4, pp. 559-560 [ doi:10.1107/97809553602060000757 ]
... and typesetting, Vol. A. Reading, MA: Addison-Wesley. Westrip, S. P. (2004). printCIF for Word. http://www.iucr.org/iucr-top/cif ...
Adding extra information to an article
International Tables for Crystallography (2006). Vol. G, Section 5.7.2.3, pp. 558-559 [ doi:10.1107/97809553602060000757 ]
Adding extra information to an article 5.7.2.3. Adding extra information to an article An article for publication in Acta Cryst. C or E is built from a standard request list of CIF data items. Among the items included in this list are ones that describe molecular geometry: bond and contact distances ...
Reporting multiple structures and using templates
International Tables for Crystallography (2006). Vol. G, Section 5.7.2.2, p. 558 [ doi:10.1107/97809553602060000757 ]
... 5.3 . References Allen, F. H., Johnson, O., Shields, G. P., Smith, B. R. & Towler, M. (2004). CIF applications. XV. enCIFer: a program ... Göttingen, Germany. http://shelx.uni-ac.gwdg.de/SHELX/ . Westrip, S. P. (2004). printCIF for Word. http://www.iucr.org/iucr-top/ ...
Assembling the complete article
International Tables for Crystallography (2006). Vol. G, Section 5.7.2.1, pp. 557-558 [ doi:10.1107/97809553602060000757 ]
... www.iucr.org/iucr-top/cif/software/ciftbx/cif2cif.src/ . Hall, S. R. & Sievers, R. (1993). CIF applications. I. QUASAR: for extracting data from ...
Publication
International Tables for Crystallography (2006). Vol. G, Section 5.7.2.8, p. 562 [ doi:10.1107/97809553602060000757 ]
... very fast. References Bruno, I. J., Cole, J. C., Edgington, P. R., Kessler, M., Macrae, C. F., McCabe, P., Pearson, J. & Taylor, R. (2002). New software for ...
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