Peaks Detection in X-Ray Diffraction Profiles Using Grid Computing

  • Authors:

  • Enrique Morales-Ramos;Miguel A. Vega-Rodríguez;Antonio Gómez-Iglesias;Miguel Cárdenas-Montes;Juan A. Gómez-Pulido;Florentino Sánchez-Bajo

  • Affiliations:

  • Research Centre for Energy, Environment and Technology (CIEMAT) Avda. Complutense, Madrid, Spain 28040;Dept. Technologies of Computers and Communications, University of Extremadura (UNEX), Escuela Politécnica, Cáceres, Spain 10071;Extremadura Advanced Research Center (CETA-CIEMAT), Trujillo (Cáceres), Spain 10200;Research Centre for Energy, Environment and Technology (CIEMAT) Avda. Complutense, Madrid, Spain 28040;Dept. Technologies of Computers and Communications, University of Extremadura (UNEX), Escuela Politécnica, Cáceres, Spain 10071;Dept. Applyied Physics, University of Extremadura (UNEX), Escuela de Ingenierías Industriales, Badajoz, Spain 06071

  • Venue:
  • OTM '08 Proceedings of the OTM 2008 Confederated International Conferences, CoopIS, DOA, GADA, IS, and ODBASE 2008. Part I on On the Move to Meaningful Internet Systems:
  • Year:
  • 2008

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Abstract

X-Ray scattering techniques pose some problems for automatic peaks detection on diffraction profiles that can be interesting from a computational point of view. In this way, finding out the measure in which a model fits to an a priori known profile is an optimization problem needing the definition of a figure of merit, whose calculation involves a hard computing effort. A sequential algorithm exploring all the existing possibilities in the solution space of this problem surely would be discarded due to its cost in terms of execution time. Running this algorithm on a grid computing infrastructure helps to reduce a lot this effort and allows to show real results and to offer conclusions about the application of this recent distributed computing paradigm to scientific matters.