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README.md

\brief A method for merging SAXS profiles using Gaussian processes.

saxs_merge {#saxs_merge_bin}

A method for merging SAXS profiles using Gaussian processes. Small-Angle X-ray Scattering (SAXS) is an experimental technique that allows gathering structural information on biomolecules in solution. High-quality SAXS profiles are usually obtained by manual merging of scattering profiles from different concentrations and exposure times.

SAXS Merge is a fully automated statistical method for merging SAXS profiles using Gaussian processes. This method requires only the buffer-subtracted profile files in a specific order. At the heart of its formulation is nonlinear interpolation using Gaussian Processes, which provide a statement of the problem that accounts for correlation in the data. The method is benchmarked.

A webserver is also available.

Examples:

  • [Merging of SAXS profiles](@ref saxs_merge)

Info

Author(s): Yannick Spill, Seong Joong Kim, Dina Schneidman-Duhovny

Maintainer: yannickspill

License: LGPL This library is free software; you can redistribute it and/or modify it under the terms of the GNU Lesser General Public License as published by the Free Software Foundation; either version 2 of the License, or (at your option) any later version.

Publications:

  • SAXS Merge: an Automated Webserver to Statistically Merge SAXS Profiles. Submitted.
  • SAXS Merge: an Automated Statistical Method to Merge SAXS Profiles using Gaussian Processes. Accepted in the Journal of Synchrotron Radiation.