The Diffraction Pattern Calculator (DPC) toolkit: A user-friendly approach to unit-cell lattice parameter identification of two-dimensional grazing-incidence wide-angle X-ray scattering data

Journal of Applied Crystallography

Volumn 47, Issue 6, 2014, Pages 2090-2099

  Hailey, Anna K ^a   Hiszpanski, Anna M ^a   Smilgies, Detlef M ^b   Loo, Yueh Lin ^a  

^a Princeton University   (United States)

^b Cornell High Energy Synchrotron Source Cornell University ^*  (United States)

Author keywords

computer programs; crystal structure determination; DPC toolkit; unit cell lattice parameter

Indexed keywords

CELLS; COMPUTER PROGRAM LISTINGS; CYTOLOGY; LATTICE CONSTANTS; OPTICAL SENSORS; SOFTWARE TESTING; X RAY SCATTERING;

COMPUTATIONAL TOOLS; CRYSTAL STRUCTURE DETERMINATION; DPC TOOLKIT; POSITION-SENSITIVE DETECTORS; UNIT CELLS; UNIT-CELL DIMENSIONS; UNIT-CELL PARAMETERS; WIDE ANGLE X-RAY SCATTERING;

CRYSTAL STRUCTURE;

EID: 84913570448     PISSN: 00218898     EISSN: 16005767     Source Type: Journal    
DOI: 10.1107/S1600576714022006     Document Type: Article

References (52)

1. Allen, F. H. (2002). Acta Cryst. B58, 380-388.
2. Aroyo, M. I., Perez-Mato, J. M., Capillas, C., Kroumova, E., Ivantchev, S., Madariaga, G., Kirov, A. & Wondratschek, H. (2006). Z. Kristallogr. 221, 15-27.
3. Baker, J. L., Jimison, L. H., Mannsfeld, S., Volkman, S., Yin, S., Subramanian, V., Salleo, A., Alivisatos, A. P. & Toney, M. F. (2010) Langmuir 26: 9146-9151.
4. Breiby, D. W., Bunk, O., Andreasen, J. W., Lemke, H. T. & Nielsen, M. M. (2008). J. Appl. Cryst. 41, 262-271.
5. Campbell, R. B., Robertson, J. M. & Trotter, J. (1962). Acta Cryst. 15, 289-290.
6. Chen, J., Martin, D. C. & Anthony, J. E. (2007). J. Mater. Res. 22, 1701-1709.
7. Chen, W., Nikiforov, M. P. & Darling, S. B. (2012). Environ. Sci. 5, 8045-8074.
8. DeLongchamp, D. M., Kline, R. J., Fischer, D. A., Richter, L. J. & Toney, M. F. (2011). Adv. Mater. 23, 319-337.
9. Dimitrakopoulos, C. & Malenfant, P. R. L. (2002). Adv. Mater. 14, 99-117.
10. Dinnebier, R. E., Hinrichsen, B., Rajiv, P. & Jansen, M. (2006). Rigaku J. 23, 13-24.
11. Foadi, J. & Evans, G. (2011). Acta Cryst. A67, 93-95.
12. Fuentes-Montero, L., Montero-Cabrera, M. E. & Fuentes-Cobas, L. (2011). J. Appl. Cryst. 44, 241-246.
13. Fumagalli, E., Campione, M., Raimondo, L., Sassella, A., Moret, M., Barba, L. & Arrighetti, G. (2012). J. Synchrotron Rad. 19, 682-687.
14. Gruene, T., Hahn, H. W., Luebben, A. V., Meilleur, F. & Sheldrick, G. M. (2014). J. Appl. Cryst. 47, 462-466.
15. Hahn, T. (2002). Editor. International Tables for Crystallography, Vol. A, 5th ed. Dordrecht: Springer.
16. Hiszpanski, A. M. & Loo, Y.-L. (2014). Environ. Sci. 7, 592-608.
17. Hooft, R.W.W., Sander, C. & Vriend, G. (1994). J. Appl. Cryst. 27, 1006-1009.
18. Huang, Y.-F., Chang, C.-W., Smilgies, D.-M., Jeng, U., Inigo, A. R., White, J. D., Li, K.-C., Lim, T.-S., Li, T.-D., Chen, H.-Y., Chen, S.-A., Chen, W.-C. & Fann, W.-S. (2009). Adv. Mater. 21, 2988-2992.
19. Kline, R. J., Hudson, S. D., Zhang, X., Gundlach, D. J., Moad, A. J., Jurchescu, O. D., Jackson, T. N., Subramanian, S., Anthony, J. E., Toney, M. F. & Richter, L. J. (2011). Chem. Mater. 23, 1194-1203.
20. Krause, B., Dürr, A. C., Ritley, K. A., Schreiber, F., Dosch, H. & Smilgies, D.-M. (2001). Appl. Surf. Sci. 175-176, 332-336.
21. Lagarias, J. C., Reeds, J. A., Wright, M. H. & Wright, P. E. (1998). SIAM J. Optimiz. 9, 112-147.
22. Le Bail, A. (2004). Powder Diffr. 19, 249-254.
23. Lee, S. S. & Loo, Y.-L. (2010). Annu. Rev. Chem. Biomol. Eng. 1, 59-78.
24. Lee, S. S., Loth, M. A., Anthony, J. E. & Loo, Y.-L. (2012). J. Am. Chem. Soc. 134, 5436-5439.
25. Lee, S. S., Tang, S. B., Smilgies, D.-M., Woll, A. R., Loth, M. A., Mativetsky, J. M., Anthony, J. E. & Loo, Y.-L. (2012). Adv. Mater. 24, 2692-2698.
26. Li, R., Ward, J. W., Smilgies, D.-M., Payne, M. M., Anthony, J. E., Jurchescu, O. D. & Amassian, A. (2012). Adv. Mater. 24, 5553-5558.
27. Liu, Y., Meirer, F., Williams, P. A., Wang, J., Andrews, J. C. & Pianetta, P. (2012). J. Synchrotron Rad. 19, 281-287.
28. Loo, Y.-L. (2007). AIChE J. 53, 1066-1074.
29. Loo, Y.-L., Hiszpanski, A. M., Kim, B., Wei, S., Chiu, C.-Y., Steigerwald, M. L. & Nuckolls, C. (2010). Org. Lett. 12, 4840-4843.
30. Mannsfeld, S. C. B., Tang, M. L. & Bao, Z. (2011). Adv. Mater. 23, 127-131.
31. Müller-Buschbaum, P. (2014). Adv. Mater. doi: 10.1002/adma.201304187.
32. Nabok, D., Puschnig, P., Ambrosch-Draxl, C., Werzer, O., Resel, R. & Smilgies, D.-M. (2007). Phys. Rev. B, 76, 235322.
33. Neumann, M. A. (2003). J. Appl. Cryst. 36, 356-365.
34. Oh, J. H., Sun, Y.-S., Schmidt, R., Toney, M. F., Nordlund, D., Könemann, M., Würthner, F. & Bao, Z. (2009). Chem. Mater. 21, 5508-5518.
35. Oliveira, R. P. & Driemeier, C. (2013). J. Appl. Cryst. 46, 1196-1210.
36. Payne, M. M., Parkin, S. R., Anthony, J. E., Kuo, C.-C. & Jackson, T. N. (2005). J. Am. Chem. Soc. 127, 4986-4987.
37. Price, S. L. (2014). Chem. Soc. Rev. 43, 2098-2111.
38. Ree, M. (2014). Macromol. Rapid Commun. 35, 930-959.
39. Resel, R. (2008). J. Phys. Condens. Matter, 20, 184009.
40. Rivnay, J., Noriega, R., Kline, R. J., Salleo, A. & Toney, M. F. (2011). Phys. Rev. B, 84, 045203.
41. Salzmann, I. & Resel, R. (2004). J. Appl. Cryst. 37, 1029-1033.
42. Schiefer, S., Huth, M., Dobrinevski, A. & Nickel, B. (2007). J. Am. Chem. Soc. 129, 10316-10317.
43. Send, S., Abboud, A., Leitenberger, W., Weiss, M. S., Hartmann, R., Strüder, L. & Pietsch, U. (2012). J. Appl. Cryst. 45, 517-522.
44. Smilgies, D.-M. (2009). J. Appl. Cryst. 42, 1030-1034.
45. Smilgies, D.-M. & Blasini, D. R. (2007). J. Appl. Cryst. 40, 716-718.
46. Smilgies, D.-M., Blasini, D. R., Hotta, S. & Yanagi, H. (2005). J. Synchrotron Rad. 12, 807-811.
47. Smilgies, D.-M., Boudet, N., Struth, B., Yamada, Y. & Yanagi, H. (2000). J. Cryst. Growth, 220, 88-95.
48. Stewart, K. A., Robinson, D. A. & Lapthorn, A. J. (2008). Acta Cryst. D64, 108-118.
49. Teague, L. C., Hamadani, B. H., Jurchescu, O. D., Subramanian, S., Anthony, J. E., Jackson, T. N., Richter, C. A., Gundlach, D. J. & Kushmerick, J. G. (2008). Adv. Mater. 20, 4513-4516.
50. Warren, B. E. (1969). X-ray Diffraction. Mineola: Courier Dover Publications.
51. Wilson, A. J. C. (1993). Acta Cryst. A49, 795-806.
52. Witte, G. & Wöll, C. (2011). J. Mater. Res. 19, 1889-1916.