A customizable software for fast reduction and analysis of large X-ray scattering data sets: Applications of the new DPDAK package to small-angle X-ray scattering and grazing-incidence small-angle X-ray scattering

Journal of Applied Crystallography

Volumn 47, Issue 5, 2014, Pages 1797-1803

  Benecke, Gunthard ^a,b   Wagermaier, Wolfgang ^b   Li, Chenghao ^b   Schwartzkopf, Matthias ^a   Flucke, Gero ^a   Hoerth, Rebecca ^b,c   Zizak, Ivo ^d   Burghammer, Manfred ^e,f   Metwalli, Ezzeldin ^g   Müller Buschbaum, Peter ^g   Trebbin, Martin ^h   Förster, Stephan ^h   Paris, Oskar ^b,i   Roth, Stephan V ^a   Fratzl, Peter ^b  

^a DESY   (Germany)

^b MAX PLANCK INSTITUTE OF COLLOIDS AND INTERFACES   (Germany)

^c CHARITÉ UNIVERSITÄTSMEDIZIN BERLIN   (Germany)

^d HAHN MEITNER INSTITUT   (Germany)

^e EUROPEAN SYNCHROTRON RADIATION FACILITY   (France)

^f GHENT UNIVERSITY   (Belgium)

^g TECHNICAL UNIVERSITY OF MUNICH   (Germany)

^h UNIVERSITY OF BAYREUTH   (Germany)

ⁱ UNIVERSITY OF LEOBEN   (Austria)

Author keywords

computer programs; data analysis; data reduction; grazing incidence small angle X ray scattering; small angle X ray scattering

Indexed keywords

DATA REDUCTION;

CUSTOMIZABLE; GRAZING INCIDENCE SMALL-ANGLE X-RAY SCATTERING; SMALL ANGLE X-RAY SCATTERING;

COMPUTER PROGRAM LISTINGS;

EID: 84907500305     PISSN: 00218898     EISSN: 16005767     Source Type: Journal    
DOI: 10.1107/S1600576714019773     Document Type: Article

References (38)

1. Buffet, A., Rothkirch, A., Döhrmann, R., Körstgens, V., Abul Kashem, M. M., Perlich, J., Herzog, G., Schwartzkopf, M., Gehrke, R., Müller-Buschbaum, P. & Roth, S. V. (2012). J. Synchrotron Rad. 19, 647-653.
2. Chourou, S. T., Sarje, A., Li, X. S., Chan, E. R. & Hexemer, A. (2013). J. Appl. Cryst. 46, 1781-1795.
3. Förster, S., Apostol, L. & Bras, W. (2010). J. Appl. Cryst. 43, 639-646.
4. Fratzl, P., Schreiber, S. & Boyde, A. (1996). Calcif. Tissue Int. 58, 341-346.
5. Fratzl, P., Schreiber, S. & Klaushofer, K. (1996). Connect. Tissue Res. 35, 9-16.
6. Fratzl, P., Vogl, G. & Klaumünzer, S. (1991). J. Appl. Cryst. 24, 588-592.
7. Glatter, O. & Kratky, O. (1982). Small Angle X-ray Scattering. London, New York: Academic Press.
8. Glišoví A., Vehoff, T., Davies, R. J. & Salditt, T. (2008). Macromolecules, 41, 390-398.
9. Gourrier, A., Wagermaier, W., Burghammer, M., Lammie, D., Gupta, H. S., Fratzl, P., Riekel, C.,Wess, T. J. & Paris, O. (2007). J. Appl. Cryst. 40, s78-s82.
10. Hakansson, K. M., Fall, A. B., Lundell, F., Yu, S., Krywka, C., Roth, S. V., Santoro, G., Kvick, M., Prahl Wittberg, L., Wagberg, L. & Söderberg, L. D. (2014). Nat. Commun, 5, doi:10.1038/ncomms5018.
11. Hammersley, A. P., Svensson, S. O., Hanfland, M., Fitch, A. N. & Hausermann, D. (1996). High Pressure Res. 14, 235-248.
12. Kieffer, J. & Karkoulis, D. (2013). J. Phys. Conf. Ser. 425, 202012.
13. Knight, J. B., Vishwanath, A., Brody, J. P. & Austin, R. H. (1998). Phys. Rev. Lett. 80, 3863-3866.
14. Knudsen, E. B., Sørensen, H. O., Wright, J. P., Goret, G. & Kieffer, J. (2013). J. Appl. Cryst. 46, 537-539.
15. Kohlbrecher, J. & Bressler, I. (2011). Software Package SASfit for Fitting Small-Angle Scattering Curves, https://kur.web.psi.ch/sans1/SANSSoft/sasfit.html.
16. Krasner, G. E. & Pope, S. T. (1988). J Object-Orient. Prog. 1, 41.
17. Metwalli, E., Couet, S., Schlage, K., Röhlsberger, R., Körstgens, V., Ruderer, M., Wang, W., Kaune, G., Roth, S. V. & Müller-Buschbaum, P. (2008). Langmuir, 24, 4265-4272.
18. Metwalli, E., Körstgens, V., Schlage, K., Meier, R., Kaune, G., Buffet, A., Couet, S., Roth, S. V., Röhlsberger, R. & Müller-Buschbaum, P. (2013). Langmuir, 29, 6331-6340.
19. Müller-Buschbaum, P. (2003). Anal. Bioanal. Chem. 376 3-10.
20. Narayanan, T. (2009). Curr. Opin. Colloid Interface Sci. 14, 409-415.
21. Nielsen, S. S., Toft, K. N., Snakenborg, D., Jeppesen, M. G., Jacobsen, J. K., Vestergaard, B., Kutter, J. P. & Arleth, L. (2009). J. Appl. Cryst. 42, 959-964.
22. Pabisch, S., Wagermaier, W., Zander, T., Li, C. & Fratzl, P. (2013). Methods Enzymol. 532, 391-413.
23. Paris, O. (2008). Biointerphases, 3, Fb16-Fb26.
24. Pfohl, T., Otten, A., Köster, S., Dootz, R., Struth, B. & Evans, H. M. (2007). Biomacromolecules, 8, 2167-2172.
25. Pollack, L., Tate, M. W., Finnefrock, A. C., Kalidas, C., Trotter, S., Darnton, N. C., Lurio, L., Austin, R. H., Batt, C. A., Gruner, S. M. & Mochrie, S. G. J. (2001). Phys. Rev. Lett. 86, 4962-4965.
26. Ponchut, C., Rigal, J. M., Clement, J., Papillon, E., Homs, A. & Petitdemange, S. (2011). J. Instrum. 6, C01069.
27. Porod, G. (1951). Kolloid Z. Z. Polym. 124, 83-114.
28. Riekel, C. (2000). Rep. Prog. Phys. 63, 233-262.
29. Rinnerthaler, S., Roschger, P., Jakob, H. F., Nader, A., Klaushofer, K. & Fratzl, P. (1999). Calcif. Tissue Int. 64, 422-429.
30. Russell, R.,Millett, I. S., Tate, M.W., Kwok, L.W., Nakatani, B., Gruner, S.M., Mochrie, S. G., Pande, V., Doniach, S., Herschlag, D. & Pollack, L. (2002). Proc. Natl Acad. Sci. USA, 99, 4266-4271.
31. Schwartzkopf, M. et al. (2013). Nanoscale, 5, 5053-5062.
32. Svergun, D. I., Koch, H. J., Timmins, P. A. & May, R. P. (2013). Small Angle X-ray and Neutron Scattering from Solutions of Biological Macromolecules. Oxford University Press.
33. Taché, O., Spalla, O., Thill, A. & Sen, D. (2013). pySAXS, an Open Source Python Package and GUI for SAXS Data Treatment, http://iramis.cea.Fr/en/Phocea/Vie-des-labos/Ast/ast-sstechnique.php?id-ast=1799.
34. Taheri, S. M., Fischer, S., Trebbin, M.,With, S., Schröder, J. H., Perlich, J., Roth, S. V. & Förster, S. (2012). Soft Matter, 8, 12124-12131.
35. Trebbin, M., Steinhauser, D., Perlich, J., Buffet, A., Roth, S. V., Zimmermann, W., Thiele, J. & Förster, S. (2013). Proc. Natl Acad. Sci. USA, 110, 6706-6711.
36. Trueb, P., Sobott, B. A., Schnyder, R., Loeliger, T., Schneebeli, M., Kobas, M., Rassool, R. P., Peake, D. J. & Broennimann, C. (2012). J. Synchrotron Rad. 19, 347-351.
37. Vad, T., Wulfhorst, J., Pan, T.-T., Steinmann, W., Dabringhaus, S., Beckers, M., Seide, G., Gries, T., Sager,W. F. C., Heidelmann, M. &Weirich, T. E. (2013). Macromolecules, 46, 5604-5613.
38. Yoneda, Y. (1963). Phys. Rev. 131, 2010-2013.