Jpowder Version 2: For the Display and Examination of Powder Diffraction Data Using Stack Plot
Affiliation(s)
Faculty of Computer and Technology, Kasem Bundit University, Bangkok, Thailand. City University of London, London, UK; 3STFC Rutherford Appleton Laboratory, Didcot, UK. STFC Rutherford Appleton Laboratory, Didcot, UK..
Faculty of Computer and Technology, Kasem Bundit University, Bangkok, Thailand. City University of London, London, UK; 3STFC Rutherford Appleton Laboratory, Didcot, UK. STFC Rutherford Appleton Laboratory, Didcot, UK..
ABSTRACT
The ability to display and inspect
powder diffraction data quickly and efficiently is a central part of the data
analysis process. Whilst many computer programs are capable of displaying
powder data, their focus is typically on structure solution. The research proposes
a lightweight powder diffraction visualization program with the capability of
fast rendering to compare
powder data sets. Based on the success of the earlier version and user
requests, Jpowder has been extended to display powder diffraction datasets using stack plot, which options to
use meta-data for crystallographic powder diffraction data in XML format. Such stack
plots allows crystallographers to identify phase transitions in materials.
Cite this paper
K. Puphaiboon, M. Arjeneh and A. Markvardsen, "Jpowder Version 2: For the Display and Examination of Powder Diffraction Data Using Stack Plot," Journal of Software Engineering and Applications, Vol. 6 No. 4, 2013, pp. 168-173. doi: 10.4236/jsea.2013.64021.
K. Puphaiboon, M. Arjeneh and A. Markvardsen, "Jpowder Version 2: For the Display and Examination of Powder Diffraction Data Using Stack Plot," Journal of Software Engineering and Applications, Vol. 6 No. 4, 2013, pp. 168-173. doi: 10.4236/jsea.2013.64021.
References
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[1] K. Yvon, “Personal Opinions,” Zeitschrift Fur Kristallographie, Vol. 217, No. 7-8, 2002, pp. 380-382. doi:10.1524/zkri.217.7.380.23670 [2] C. Bajaj and P. Djeu, “Texmol: Interactive Visual Exploration of Large Flexible Multi-Component Molecular Complexes,” In: Proceedings of the Conference on Visualization ’04, IEEE Computer Society Press, Texas, 2004, pp. 243-250. [3] H. Putz, J. C. Schon and M. Jansen, “Combined Method for ab Initio Structure Solution from Powder Diffraction Data,” Journal of Applied Crystallography, Vol. 32, 1999, pp. 864-870. doi:10.1107/S0021 889899006615 [4] A. J. Markvardsen, K. Puphaiboon, M. Arjeneh, K. Shankland, H. L. Guest, T. A. N. Griffin, D. R. Badham and D. W. Flannery, “Jpowder: A Java-Based Program for the Display and Examination of Powder Diffraction Data,” Journal of Applied Crystallography, Vol. 43, 2010, pp. 1532-1534. doi:10.1107/S002 1889810041543 [5] Jpowder, 2012. http://code.google.com/p/jpowder/issues/list [6] http://www.jfree.org/jfreechart [7] http://jxlayer.dev.java.net [8] http://itextpdf.com [9] A. Coelho, “TOPAS User Manual,” Version 3.1., Bruker AXS GmbH, Karlsruhe, 2003. [10] V. Favre-Nicolin and R. Cerny, “FOX, Free Objects for Crystallography’: A Modular Approach to ab Initio Structure Determination from Powder Diffraction,” Journal of Applied Crystallography, Vol. 35, 2002, pp. 734-743. doi:10.1107/S0021889802015236 [11] Highscore, 2010. http://www.panalytical.com [12] W. David, K. Shankland, J. van de Streek, E. Pidcock, W. Motherwell and J. Cole, “DASH: A Program for Crystal Structure Determination from Powder Diffraction Data,” Journal of Applied Crystallography, Vol. 39, 2006, pp. 910-915. doi:10.1107/S0021889806042117 [13] J. Rodriguez-Carvajal, “Recent Advances in Magnetic Structure Determination by Neutron Powder Diffraction,” Physica B, Vol. 192, No. 1-2, 1993, pp. 55-69. doi:10.1016/0921-4526(93)90108-I [14] C. Larson and B. Von Dreele, “GSAS,” Report LAUR, Los Alamos National Laboratory, New Mexico, 1994, pp. 786-748. [15] A. Altomare, M. Camalli, C. Cuocci, C. Giacovazzo, A. Moliterni and R. Rizzi, “EXPO2009: Structure Solution by Powder Data in Direct and Reciprocal Space,” Journal of Applied Crystallography, Vol. 42, 2009, pp. 1197-1202. doi:10.1107/S0021889809042915 [16] V. Petricek, M. Dusek and L. Palatinus, “The Crystallographic Computing System,” Institute of Physics, Praha, 2006. [17] EVA, 2013. http://www.bruker.com/en/products/x-ray-diffraction-and-elemental-analysis/x-ray-diffraction/xrd-software/applications/xrd-software-applications/eva.htm. [18] C. Dong, “PowderX: Windows-95-Based Program for Powder X-Ray Diffraction Data Processing,” Journal of Applied Crystallography, Vol. 32, 1999, p. 838. doi:10.1107/S0021889899003039 [19] Powderstack Plot, 2013. http://www2.fkf.mpg.de/xray/html/powderstack plot.html [20] A. Boultif and D. Louer, “Powder Pattern Indexing with the Dichotomy Method,” Journal of Applied Crystallography, Vol. 37, 2004, pp. 724-731. doi:10.1107/S0021889804014876 [21] B. Strousrup, “Software Development for Infrastructure,” Computer, Vol. 45, No. 1, 2012, pp. 47-58. doi:10.1109/MC.2011.353 [22] P. Knoll and S. Mirzaei, “Scientific Computing with Java,” Computer Applications in Engineering Education, Vol. 18, No. 3, 2010, pp. 495-501.