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Small-molecule crystal structure publication using CIF
Strickland, P. R., Hoyland, M. A. and McMahon, B.  International Tables for Crystallography (2006). Vol. G, ch. 5.7, pp. 557-569 [ doi:10.1107/97809553602060000757 ]
... structure reports in machine-readable form. In 1990, Zeitschrift für Kristallographie, published by R. Oldenbourg Verlag, introduced a new section for the publication of ... and in 1997 it became a separate journal, Zeitschrift für Kristallographie - New Crystal Structures. CIF is now the standard ...

Small-molecule crystal structure publication using CIF
Strickland, P. R., Hoyland, M. A. and McMahon, B.  International Tables for Crystallography (2006). Vol. G, ch. 5.7, pp. 557-569 [ doi:10.1107/97809553602060000757 ]
... full Fraction of unique reflections measured to _diffrn_reflns_av_R_equivalents R factor for symmetry-equivalent intensities _diffrn_reflns_limit_h_min ... F2 or I used in least-squares refinement _refine_ls_R_factor_gt R factor of F for reflections > threshold _ ...

CIF and XML
Strickland, P. R., Hoyland, M. A. and McMahon, B.  International Tables for Crystallography (2006). Vol. G, Section 5.7.3.2, pp. 563-564 [ doi:10.1107/97809553602060000757 ]
... sets. http://www.bernstein-plus-sons.com/software/xmlCIF/ . Murray-Rust, P. & Rzepa, H. S. (1999). Chemical markup, XML and the ... J. Chem. Inf. Comput. Sci. 39, 928-942. Murray-Rust, P. & Rzepa, H. S. (2001). Chemical markup, XML and the ...
     [more results from section 5.7.3 in volume G]

Publication
Strickland, P. R., Hoyland, M. A. and McMahon, B.  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 ...
     [more results from section 5.7.2 in volume G]

Introduction
Strickland, P. R., Hoyland, M. A. and McMahon, B.  International Tables for Crystallography (2006). Vol. G, Section 5.7.1, p. 557 [ doi:10.1107/97809553602060000757 ]
... structure reports in machine-readable form. In 1990, Zeitschrift für Kristallographie, published by R. Oldenbourg Verlag, introduced a new section for the publication of ... and in 1997 it became a separate journal, Zeitschrift für Kristallographie - New Crystal Structures. CIF is now the standard ...

Small-molecule crystal structure publication using CIF
Strickland, P. R., Hoyland, M. A. and McMahon, B.  International Tables for Crystallography (2006). Vol. G, ch. 5.7, pp. 557-569 [ doi:10.1107/97809553602060000757 ]
... refine_ls_number_parameters RFACG01 3 Check that _refine_ls_R_factor_gt is within expected limits RFACR01 3 Check that ... within expected limits RINTA01 3 Check that _diffrn_reflns_av_R_equivalents is within expected limits SHFSU01 2 Check that _refine ... validation tests applied by PLATON Test nameTypePurpose PLAT020 3 Check R(int) PLAT021 1 Check expected number of reflections (max = ...

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