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GENFIT: software for the analysis of small-angle X-ray and neutron scattering data of macro­molecules in solution

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      Abstract

      GENFIT is a new computer code featuring an advanced model-fitting capability to analyse small-angle X-ray and neutron scattering data of macromolecular systems. Batches of experimental curves can be simultaneously best fitted using common parameters issued from combinations of models and, if applicable, constrained by physical and/or phenomenological relations.

      Abstract

      Many research topics in the fields of condensed matter and the life sciences are based on small-angle X-ray and neutron scattering techniques. With the current rapid progress in source brilliance and detector technology, high data fluxes of ever-increasing quality are produced. In order to exploit such a huge quantity of data and richness of information, wider and more sophisticated approaches to data analysis are needed. Presented here is GENFIT, a new software tool able to fit small-angle scattering data of randomly oriented macromolecular or nanosized systems according to a wide list of models, including form and structure factors. Batches of curves can be analysed simultaneously in terms of common fitting parameters or by expressing the model parameters via physical or phenomenological link functions. The models can also be combined, enabling the user to describe complex heterogeneous systems.

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      Affiliations
      [a ]Department DiSVA, Marche Polytechnic University and CNISM, Via Brecce Bianche, I-60131 Ancona, Italy
      [b ]European Synchrotron Radiation Facility, Grenoble, France
      Author notes
      Correspondence e-mail: f.spinozzi@ 123456univpm.it
      Journal
      J Appl Crystallogr
      J Appl Crystallogr
      J. Appl. Cryst.
      Journal of Applied Crystallography
      International Union of Crystallography
      0021-8898
      1600-5767
      01 June 2014
      10 May 2014
      10 May 2014
      : 47
      : Pt 3 ( publisher-idID: j140300 )
      : 1132-1139
      4038801 to5062 10.1107/S1600576714005147 JACGAR S1600576714005147
      © Francesco Spinozzi et al. 2014

      This is an open-access article distributed under the terms of the Creative Commons Attribution Licence, which permits unrestricted use, distribution, and reproduction in any medium, provided the original authors and source are cited.

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      Computer Programs

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