Data Analysis Software

Additional programs from beamline and outside sources

BioSAXSprocess: Matlab Program for Bio/Solution-SAXS Data Processing


This matlab program is part of the 12-ID-B matlab software package. It provides a quick background subtraction, zero-concentration extrapolation and data merge for solution/bio-SAXS multiple concentration measurements.

To start: in matlab command window, run "bioSAXSprocess2"

Usage:

Data Selection

  • Selection sample data sets and corresponding buffer data. Provide concontration values.
  • Subtract, Plot & Save will do background subtraction, plot and save to local folder.

    • Simulatenous Bkg Sub & Conc Extroplation

  • Check the date sets to be fit, up to 5. Provide q-range to fit (qMin & qMax).
  • Click “Fit Alpha, Beta….” to do simultaneous background subtraction, and zero-concentration extroplation.

    • Merge Zero Conc

  • Merge extroplated zero-conc data(low q) and high conc data (high q).
  • qMerge: q value chosen to merge
  • mBsub: the high conc data set (#1 default)

    • Guinier Extraploation and Pair Distance Distribution Analysis

  • Those require ATSAS software package installation if use outside the beamline.
  • In “Settings”, “Set ATSAS/bin Path” first. Default path is : "C:\ATSAS\bin"
  • Call ATSAS functions to do Guinier fit and GNOW calculations. Can do outside of this matlab program after “Merge Zero Conc”.


    • Igor Pro Software Macros

    Besides Matlab, Igor Pro is also available for data visualization and anaylsis.
    Here are some frequently used Igor macros/functions which are pretty much self-explained.

    Igor macros 1

    Igor macros 2

    GISAXShop: GISAXS Data Processing


    GISAXShop is an Igor Pro software package for GISAXS data processing.
    It will be loaded by clicking "BESSRC"-->"Load GISAXS"-->"Start GISAXS shop"

    For more information, see GISAXShop manual.


    Other Useful Data Analysis Software Recommended and Installed at Beamline Computers


    SAXS Data Analysis:

    A. Bio/Solution SAXS:
    • ATSAS: Stand-alone, comprehensive BioSAXS data analysis package.
    • BioXTAS RAW: Stand-alone, comprehensive BioSAXS data analysis package, Strength: very useful for SEC-SAXS data processing
    • SolX: Stand-alone, Windows program, coordinate-based X-ray scattering and PDDF simulations.
    B. Material SAXS:
    • SasView: Stand-alone, comprehensive SAS data analysis software. Strength: with a long, comprehensive list of models.
    • Irena: SAS data analysis package in Igor Pro. Stength: multiple level data fitting.
    • SASfit: Stand-alone, comprehensive SAS data analysis software.
    C. Useful SAXS related websites:

    Text File Editing:

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