High-throughput powder diffraction V: The use of Raman spectroscopy with and without X-ray powder diffraction data

Journal of Applied Crystallography

Volumn 42, Issue 4, 2009, Pages 706-714

  Barr, Gordon ^a   Cunningham, Gordon ^a   Dong, Wei ^a,c   Gilmore, Christopher J ^a   Kojima, Takashi ^b,d  

^a UNIVERSITY OF GLASGOW   (United Kingdom)

^b PFIZER GLOBAL RESEARCH AND DEVELOPMENT   (United States)

^c CAMBRIDGE CRYSTALLOGRAPHIC DATA CENTRE   (United Kingdom)

^d TAKEDA PHARMACEUTICAL COMPANY LIMITED   (Japan)

Author keywords

Pattern classification; Powder diffraction; Raman spectroscopy

Indexed keywords

EID: 67651166878     PISSN: 00218898     EISSN: 16005767     Source Type: Journal    
DOI: 10.1107/S0021889809022924     Document Type: Article

References (20)

1. Barr, G., Dong, W. & Gilmore, C. J. (2004a). J. Appl. Cryst. 37, 243- 252.
2. Barr, G., Dong, W. & Gilmore, C. J. (2004b). J Appl. Cryst. 37, 874- 882.
3. Barr, G., Dong, W., Gilmore, C. & Faber, J. (2004). J. Appl. Cryst. 37, 635-642.
4. Blagden, N., Davey, R. J., Lieberman, H. F., Williams, L., Payne, R., Roberts, R. & Rowe, R. (1998). J. Chem. Soc. Faraday Trans. 94, 1035-1044.
5. Boccaleri, E., Carniato, F., Croce, G., Viterbo, D., van Beek, W., Emerich, H. & Milanesio, M. (2007). J. Appl. Cryst. 40, 684-693.
6. Carroll, J. D. & Chang, J. J. (1970). Psychometria, 35, 283-319.
7. Cesur, S. & Gokbel, S. (2008). Cryst. Res. Technol. 43, 720-728. Dong, W., Gilmore, C. J., Barr, G., Dallman, C., Feeder, N. & Terry, S. (2008). J. Pharm. Sci. pp. 2260-2272.
8. Donoho, D. L. & Johnstone, I.M. (1995). J. Am. Stat. Assoc. 90, 1200- 1224.
9. Ekins, A. (2007). Pharmaceutical Applications of Raman Spectroscopy, edited by S. S ̌ ašič, pp. 9932-9938. New York: Wiley- Interscience.
10. Gilmore, C. J., Barr, G. & Paisley, J. (2004). J. Appl. Cryst. 37, 231-242.
11. Gordon, A. D. (1999). Classification, 2nd ed. Boca Raton: Chapman and Hall/CRC.
12. Gower, J. C. & Dijksterhuis, G. B. (2004). Procrustes Problems. Oxford University Press.
13. Husson, F. & Pagè s, J. (2006). Comput. Stat. Data Anal. 50, 358-378. Kojima, T., Onoue, S., Murase, N., Katoh, F., Mano, T. & Matsuda, Y. (2006). Pharm. Res. 23, 806-812.
14. Lowe-Ma, C. K., Chen, A. E., Scholl, D., Gilmore, C. J., Thatcher, R. J. & Sverdlik, W. (2006). Adv. X-ray Anal. 40, 315-321.
15. Mehrens, S. M., Kale,U. J.&Qu, X. (2005). J. Pharm. Sci. 94, 1354-1367.
16. O'Brien, L. E., Timmins, P., Williams, A. C. & York, P. (2004). J. Pharm. Biomed. Anal. 36, 335-340.
17. Press, W. H., Teukolsky, S. A., Vetterling, W. T. & Flannery, B. P. (1992). Numerical Recipes in C. Cambridge University Press.
18. Rousseeuw, P. J. (1987). J. Comput. Appl. Math. 20, 53-65.
19. Savitzky, A. & Golay, M. J. E. (1964). Anal. Chem. 36, 1627-1639.
20. Storey, R., Docherty, R., Higginson, P., Dallman, C., Gilmore, C., Barr, G. & Dong, W. (2004). Cryst. Rev. 10, 45-56.