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CURVE FITTING METHODS IGOR PRO PRO

Allows creating user-friendly logical folder structure within Igor experiment. For ASCII SAS data need to be written in columns, separated by white space, tab or other separators. Allows importing ASCII, HDF5 canSAS Nexus, or canSAS XML files. Scattering contrast calculator including anomalous effects.X-ray & neutron reflectivity calculations using Parrat’s recursive method.Powder diffraction fitting (WAXS) to fit peak positions for powder diffraction like data.Small-angle diffraction tool to model diffraction in small-angle scattering area.Cicarriello-Benedetti model for layer on smooth surfaces.

Treubner_Strey model for small-angle diffraction.

Debye-Bueche model for scattering from gels.

Analytical models – tool with option for:.

Fractal model – combination of 2 mass and 2 surface fractals.

Pair distance distribution function (PDDF, p(r)).

Gunier-Porod model for fitting of SAS data using up to 5 “levels”.

Unified fit model for fitting SAS data using up to 5 levels of combinations of Guinier and power law dependencies.

Number of form factors and structure factors.

Modeling (II) of SAS from up to 10 model “populations” (either Size distribution, Unified level, or diffraction peaks each) to up to 10 different data sets… VERY powerful tool.

Size distribution – using Maximum Entropy, Total Non-negative least square (TNNLS) & Regularization methods for evaluation of small-angle scattering from scatterers represented by number of different form factors.

Its use for most other data is made easy by a customized import tool, which should be able to handle most “column-type” ASCII data from various SAS instruments. It easily integrates with 2D (area detector) SAXS/WAXS data reduction package “Nika” which uses the qrs naming system. It can easily use “qrs” (or “qis”, NIST) naming system. Latest releases can, in specific cases (only) use also q resolution. Further it can work easily with any SAS data, which have scattering vector (q), Intensity, and (optional) Intensity uncertainty (“error”). It has been designed to use seamlessly data from APS USAXS instrument (currently beamline 9ID, Advanced Photon Source, Argonne, IL) reduced using “Indra” package.

CURVE FITTING METHODS IGOR PRO PRO

The “ Irena” package is a suite of Igor Pro (Wavemetrics, version Igor 7.x) macros for the evaluation of small-angle scattering data. If you need help, e-mail Igor file to me with data so I can work on your data. Limited means that my time available for this support is limited. I provide limited support for users of these macros. Please report any bugs to me, I will do my best to fix them ASAP. Please, verify results in some other way. Please note, while I try my best to verify the results, no guarantees can be made as to the reliability of these results. Therefore, some features may not work fully or at all. These macros represent a collaborative work in progress and it is very likely that not all features are finished at any given time.

Reflectivity (aka Parrat’s code) – Andrew Nelson.Function – Jan Ilavsky, Pete Jemian (regularization) Least Squares Modeling & other methods – Jan Ilavsky.