PDFgetX3: A rapid and highly automatable program for processing powder diffraction data into total scattering pair distribution functions

Journal of Applied Crystallography

Volumn 46, Issue 2, 2013, Pages 560-566

  Juhas P ^a   Davis, T ^a   Farrow, C L ^a   Billinge, S J L ^a,b  

^a Columbia University ^*  (United States)

^b BROOKHAVEN NATIONAL LABORATORY   (United States)

Author keywords

computer programs; pair distribution function; X ray powder diffraction

Indexed keywords

ATOMIC PAIR DISTRIBUTION FUNCTIONS; CALCULATION PARAMETERS; ENVIRONMENTAL PARAMETER; PAIR DISTRIBUTION FUNCTIONS; SOFTWARE APPLICATIONS; STANDALONE APPLICATIONS; STRUCTURE INFORMATION; STRUCTURE REFINEMENTS;

COMPUTER PROGRAM LISTINGS; COMPUTER SOFTWARE REUSABILITY; DATA HANDLING; DIFFRACTION; DISTRIBUTION FUNCTIONS; INFORMATION FILTERING; X RAY POWDER DIFFRACTION; X RAYS;

APPLICATION PROGRAMS;

EID: 84875208629     PISSN: 00218898     EISSN: 16005767     Source Type: Journal    
DOI: 10.1107/S0021889813005190     Document Type: Article

References (29)

1. Billinge, S. J. L. (2008). J. Solid State Chem. 181, 1698-1703.
2. Billinge, S. J. L. (2010). Physics, 3, 25.
3. Billinge, S. J. L., Dykhne, T., Juhás, P., Božin, E., Taylor, R., Florence, A. J. & Shankland, K. (2010). CrystEngComm, 12, 1366-1368.
4. Billinge, S. J. L. & Farrow, C. L. (2012). arXiv:1211.4284 [cond-mat.mtrl-sci].
5. Billinge, S. J. L., Farrow, C. & Juhas, P. (2011). Provisional Patent 61 563 258.
6. Billinge, S. J. L. & Kanatzidis, M. G. (2004). Chem. Commun. pp. 749-760.
7. Chupas, P. J., Chapman, K. W. & Lee, P. L. (2007). J. Appl. Cryst. 40, 463-470.
8. Chupas, P. J., Chaudhuri, S., Hanson, J. C., Qiu, X., Lee, P. L., Shastri, S. D., Billinge, S. J. & Grey, C. P. (2004). J. Am. Chem. Soc. 126, 4756-4757.
9. Chupas, P. J., Qiu, X., Hanson, J. C., Lee, P. L., Grey, C. P. & Billinge, S. J. L. (2003). J. Appl. Cryst. 36, 1342-1347.
10. Dykhne, T., Taylor, R., Florence, A. & Billinge, S. J. (2011). Pharm. Res. 28, 1041-1048.
11. Egami, T. & Billinge, S. J. L. (2013). Underneath the Bragg Peaks: Structural Analysis of Complex Materials, 2nd ed. Amsterdam: Elsevier.
12. Farrow, C. L. & Billinge, S. J. L. (2009). Acta Cryst. A65, 232-239.
13. Farrow, C. L., Juhás, P., Liu, J., Bryndin, D., Božin, E. S., Bloch, J., Proffen, T. & Billinge, S. J. L. (2007). J. Phys. Condens. Mater. 19, 335219.
14. Hammersley, A. P., Svenson, S. O., Hanfland, M. & Hauserman, D. (1996). High Pressure Res. 14, 235-248.
15. Jensen, K. M., Christensen, M., Juhas, P., Tyrsted, C., Bøjesen, E. D., Lock, N., Billinge, S. J. & Iversen, B. B. (2012). J. Am. Chem. Soc. 134, 6785-6792.
16. Jeong, I.-K., Thompson, J., Proffen, Th., Turner, A. M. P. & Billinge, S. J. L. (2001). J. Appl. Cryst. 34, 536.
17. Masadeh, A. S., Božin, E. S., Farrow, C. L., Paglia, G., Juhás, P., Karkamkar, A., Kanatzidis, M. G. & Billinge, S. J. L. (2007). Phys. Rev. B, 76, 115413.
18. Megaw, H. D. (1962). Acta Cryst. 15, 972-973.
19. Paglia, G., Božin, E. S. & Billinge, S. J. L. (2006). Chem. Mater. 18, 3242-3248.
20. Peterson, P. F., Božin, E. S., Proffen, Th. & Billinge, S. J. L. (2003). J. Appl. Cryst. 36, 53-64.
21. Petkov, V. (1989). J. Appl. Cryst. 22, 387-389.
22. Petkov, V. & Danev, R. (1998). J. Appl. Cryst. 31, 609-619.
23. Qiu, X., Thompson, J. W. & Billinge, S. J. L. (2004). J. Appl. Cryst. 37, 678.
24. Redmond, E. L., Setzler, B. P., Juhas, P., Billinge, S. J. L. & Fuller, T. F. (2012). Electrochem. Solid State, 15, B72-B74.
25. Soper, A. K. & Barney, E. R. (2011). J. Appl. Cryst. 44, 714-726.
26. Warren, B. E. (1990). X-ray Diffraction. New York: Dover.
27. Wyckoff, R. W. G. (1967). Crystal Structures, Vol. 1, 2nd ed. New York: Wiley.
28. Yang, X. & Billinge, S. J. L. (2013). J. Appl. Cryst. Submitted.
29. Young, C. A. & Goodwin, A. L. (2011). J. Mater. Chem. 21, 6464-6476.