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 Results for DC.creator="U." AND DC.creator="Das" in section 21.2.3 of volume F   page 1 of 2 pages.
Validation of a model versus experimental data
Wodak, S. J., Vagin, A. A., Richelle, J., Das, U., Pontius, J. and Berman, H. M.  International Tables for Crystallography (2012). Vol. F, Section 21.2.3, pp. 665-673 [ doi:10.1107/97809553602060000880 ]
... 104 nucleic acid crystal structures considered in the study of Das et al. (2001): (a) correlation coefficient, (b) maximal error, (c ...

Assessing the quality of a structure as a whole
Wodak, S. J., Vagin, A. A., Richelle, J., Das, U., Pontius, J. and Berman, H. M.  International Tables for Crystallography (2012). Vol. F, Section 21.2.3.1.3.1, pp. 668-669 [ doi:10.1107/97809553602060000880 ]
... 104 nucleic acid crystal structures considered in the study of Das et al. (2001): (a) correlation coefficient, (b) maximal error, (c ...

Quality assessment based on surveys across structures
Wodak, S. J., Vagin, A. A., Richelle, J., Das, U., Pontius, J. and Berman, H. M.  International Tables for Crystallography (2012). Vol. F, Section 21.2.3.1.3, pp. 668-673 [ doi:10.1107/97809553602060000880 ]
... 104 nucleic acid crystal structures considered in the study of Das et al. (2001): (a) correlation coefficient, (b) maximal error, (c ...

Evaluation of individual structures
Wodak, S. J., Vagin, A. A., Richelle, J., Das, U., Pontius, J. and Berman, H. M.  International Tables for Crystallography (2012). Vol. F, Section 21.2.3.1.2, pp. 667-668 [ doi:10.1107/97809553602060000880 ]
Evaluation of individual structures 21.2.3.1.2. Evaluation of individual structures Figs. 21.2.3.1-21.2.3.3 summarize the analysis carried out by SFCHECK on the protein rusticyanin from Thiobacillus ferrooxidans (1RCY) (Walter et al., 1996). Fig. 21.2.3.1 displays the numerical results from the analysis of the structure-factor data and from the evaluation of ...

Local agreement between the model and the experimental data
Wodak, S. J., Vagin, A. A., Richelle, J., Das, U., Pontius, J. and Berman, H. M.  International Tables for Crystallography (2012). Vol. F, Section 21.2.3.1.1.4, p. 667 [ doi:10.1107/97809553602060000880 ]
Local agreement between the model and the experimental data 21.2.3.1.1.4. Local agreement between the model and the experimental data In addition to the global structure quality measures, SFCHECK also determines the quality of the model in specific regions. Several quality estimators can be calculated for each residue in the macromolecule and ...

Estimations of errors in atomic positions
Wodak, S. J., Vagin, A. A., Richelle, J., Das, U., Pontius, J. and Berman, H. M.  International Tables for Crystallography (2012). Vol. F, Section 21.2.3.1.1.3, p. 667 [ doi:10.1107/97809553602060000880 ]
Estimations of errors in atomic positions 21.2.3.1.1.3. Estimations of errors in atomic positions The errors associated with the atomic positions are expressed as standard deviations ([sigma]) of these positions. SFCHECK computes three different error measures. One is the original error measure of Cruickshank (1949). The second is a modified version ...

Global agreement between the model and experimental data
Wodak, S. J., Vagin, A. A., Richelle, J., Das, U., Pontius, J. and Berman, H. M.  International Tables for Crystallography (2012). Vol. F, Section 21.2.3.1.1.2, p. 666 [ doi:10.1107/97809553602060000880 ]
Global agreement between the model and experimental data 21.2.3.1.1.2. Global agreement between the model and experimental data To evaluate the global agreement between the atomic model and the experimental data, the program computes three classical quality indicators: the R factor, (Brünger, 1992b) and the correlation coefficient between the calculated and ...

Treatment of structure-factor data and scaling
Wodak, S. J., Vagin, A. A., Richelle, J., Das, U., Pontius, J. and Berman, H. M.  International Tables for Crystallography (2012). Vol. F, Section 21.2.3.1.1.1, p. 666 [ doi:10.1107/97809553602060000880 ]
Treatment of structure-factor data and scaling 21.2.3.1.1.1. Treatment of structure-factor data and scaling SFCHECK reads in the structure-factor data written in mmCIF format. It then performs the following operations: Reflections are excluded if they are systematically absent, negative, or have flagged [sigma] values (99.9). Equivalent reflections are ...

Tasks performed by SFCHECK
Wodak, S. J., Vagin, A. A., Richelle, J., Das, U., Pontius, J. and Berman, H. M.  International Tables for Crystallography (2012). Vol. F, Section 21.2.3.1.1, pp. 666-667 [ doi:10.1107/97809553602060000880 ]
Tasks performed by SFCHECK 21.2.3.1.1. Tasks performed by SFCHECK 21.2.3.1.1.1. Treatment of structure-factor data and scaling | | SFCHECK reads in the structure-factor data written in mmCIF format. It then performs the following operations: Reflections are excluded if they are systematically absent, negative, or have flagged [sigma] values (99.9). Equivalent ...

A systematic approach using the SFCHECK software
Wodak, S. J., Vagin, A. A., Richelle, J., Das, U., Pontius, J. and Berman, H. M.  International Tables for Crystallography (2012). Vol. F, Section 21.2.3.1, pp. 666-673 [ doi:10.1107/97809553602060000880 ]
... 104 nucleic acid crystal structures considered in the study of Das et al. (2001): (a) correlation coefficient, (b) maximal error, (c ...

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