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Smoothing experimental SAXS/SANS curves

Posted: 2017.05.04 10:27
by shoma
Dear all,

does ATSAS package provide a tool to smooth the noisy experimental SAXS/SANS curve, (taking into account Shannon theorem and calculating running averages, or so)? Does it also provide calculation of realistic error bars?

Thank you in advance!


Posted: 2017.05.15 11:51
by AL
You may use DATREGRID to reduce the number of points, e.g.

Code: Select all

datregrid --join=2 file.dat --output=file_2.dat
This will average every two points: if your input file has 1000 data points the output file will have 500 points with slightly less noise. The error bars will be recalculated, i.e. if your input file has proper error bars - your output file will have proper error bars too.

You may use GNOM to fit a pair distance distribution function into your data. The Fourier transform of the p(r) function will be a smooth fit to your experimental data (without error bars).

Re: Smoothing experimental SAXS/SANS curves

Posted: 2017.05.31 19:49
by shoma
спасибо :)