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Figure 3
The interactive GUI display from the denss.fit_data.py script. The upper left panel shows the experimental I(q) curve as black circles, fitted In values as blue circles and the fitted Ic(q) calculated from the In values as a red curve, all on a semilog plot. The residuals of the experimental and calculated intensity curves are shown below the intensity plot. The panel on the right shows the P(r) curve calculated from the In values. Input text boxes are provided at the bottom left to allow for trimming data points at the beginning or end of the curve, along with a checkbox to disable the calculation of intensities at high q values. Interactive sliders for Dmax and α are also provided, along with corresponding input boxes for manual entry. The bottom right of the window shows size parameters calculated from the In values and associated uncertainties. Buttons for resetting the sliders, printing the size parameters and saving the results can be found at the bottom left.

Journal logoJOURNAL OF
APPLIED
CRYSTALLOGRAPHY
ISSN: 1600-5767
Volume 55| Part 5| October 2022| Pages 1116-1124
https://doi.org/10.1107/S1600576722006598
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