Plotting CRYSOL fits with another software

Calculation of SAXS and SANS profiles (CRYSOL, CRYSON), superposition of models (SUPCOMB, DAMAVER, DAMCLUST), database DARA, PyMOL plugin SASpy
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Nyshae
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Plotting CRYSOL fits with another software

#1 Post by Nyshae » 2017.04.03 14:37

Hi,

Again, it might be a simple question but I can figure out how to do it...
I have run CRYSOL for fitting different models to my data. I have my fits and all the output files. When I open the .fit files with SASPLOT, I have a nice graph. However, I would like to re-plot it using eg excel or prism.
If I open the .fit as a text file and use it as is, there is 4 columns with Dro/Ra/RGT/Vol. None of them seems to match the data/curves I can see in sasplot. Is there a way to do it in an easy way...?

Many thanks!

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AL
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CRYSOL fits

#2 Post by AL » 2017.04.03 15:55

CRYSOL *.fit files have four columns:
  • 1st column - s (or q) in inverse angstroms;
    2nd column - experimental I(s);
    3rd column - experimental errors;
    4th column - fit computed from the model.
SASPLOT plots the data as logarithm of I(s) vs. s by default. If you plot it in Excel the same way (logarithmic scale for the vertical axis) it should look very similar to SASPLOT.

Nyshae
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Posts: 24
Joined: 2015.11.03 14:38

Re: Plotting CRYSOL fits with another software

#3 Post by Nyshae » 2017.04.03 16:09

Many thanks! I have a nice plot now ^^

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