New software for statistical analysis of Cambridge Structural Database data

Journal of Applied Crystallography

Volumn 44, Issue 4, 2011, Pages 882-886

  Sykes, Richard A ^a   McCabe, Patrick ^a   Allen, Frank H ^a   Battle, Gary M ^a   Bruno, Ian J ^a   Wood, Peter A ^a  

^a CAMBRIDGE CRYSTALLOGRAPHIC DATA CENTRE   (United Kingdom)

Author keywords

Cambridge Structural Database; computer programs; Data analysis; substructure; Vista

Indexed keywords

CAMBRIDGE STRUCTURAL DATABASE; CAMBRIDGE STRUCTURAL DATABASES; CONE ANGLE; CRYSTALLOGRAPHIC DATA; PRINCIPAL COMPONENTS ANALYSIS; STRUCTURAL VISUALIZATIONS; SUBSTRUCTURE; VISTA;

CHEMICAL ANALYSIS; DATA REDUCTION; DATABASE SYSTEMS; MERCURY (METAL); STRUCTURAL ANALYSIS; VISUALIZATION;

PRINCIPAL COMPONENT ANALYSIS;

EID: 79960631937     PISSN: 00218898     EISSN: 16005767     Source Type: Journal    
DOI: 10.1107/S0021889811014622     Document Type: Article

References (18)

1. Allen, F. H. (2002). Acta Cryst. B58, 380-388.
2. Allen, F. H., Johnson, O., Shields, G. P., Smith, B. R. & Towler, M. (2004). J. Appl. Cryst. 37, 335-338.
3. Allen, F. H., Mondal, R., Pitchford, N. A. & Howard, J. A. K. (2003). Helv. Chim. Acta, 86, 1129-1139.
4. Berens, P. (2009). J. Stat. Softw. 31, 1-21.
5. Bruno, I. J., Cole, J. C., Edgington, P. R., Kessler, M., Macrae, C. F., McCabe, P., Pearson, J. & Taylor, R. (2002). Acta Cryst. B58, 389-397.
6. Bruno, I. J., Cole, J. C., Kessler, M., Luo, J., Motherwell, W. D., Purkis, L. H., Smith, B. R., Taylor, R., Cooper, R. I., Harris, S. E. & Orpen, A. G. (2004). J. Chem. Inf. Comput. Sci. 44, 2133-2144.
7. Bruno, I. J., Cole, J. C., Lommerse, J. P., Rowland, R. S., Taylor, R. & Verdonk, M. L. (1997). J. Comput. Aided Mol. Des. 11, 525-537.
8. CCDC (1994). Vista. Cambridge Crystallographic Data Centre, Cambridge, UK, http://www.ccdc.cam.ac.uk.
9. Chatfield, C. & Collins, A. J. (1980). Introduction to Multivariate Analysis. London: Chapman and Hall.
10. Kroon, J. & Kanters, J. A. (1975). Nature (London), 248, 667-669.
11. Krygowski, T. M., Szatylowicz, H. & Zachara, J. E. (2004). J. Chem. Inf. Model. 44, 2077-2082.
12. Macrae, C. F., Bruno, I. J., Chisholm, J. A., Edgington, P. R., McCabe, P., Pidcock, E., Rodriguez-Monge, L., Taylor, R., van de Streek, J. & Wood, P. A. (2008). J. Appl. Cryst. 41, 466-470.
13. Murray-Rust, P. & Motherwell, S. (1978). Acta Cryst. B34, 2534-2546.
14. Narayanan, P. & Berman, H. M. (1975). Carbohyd. Res. 44, 169-180.
15. Perez, J., Garcia, L., Orpen, A. G., Santana, M. D., Saez, P. & Garcia, G. (2002). New J. Chem. 26, 726-731.
16. Taylor, R. & Allen, F. H. (1994). Structure Correlation, Vol. 1, edited by H.-B. Bürgi & J. D. Dunitz, pp. 111-162. Weinheim: VCH Publishers.
17. Thomas, I. R., Bruno, I. J., Cole, J. C., Macrae, C. F., Pidcock, E. & Wood, P. A. (2010). J. Appl. Cryst. 43, 362-366.
18. Wood, P. A., Allen, F. H. & Pidcock, E. (2009). CrystEngComm, 11, 1563-1571.