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Small Angle X-ray Scattering Initiative for Europe :: Forum
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PostPosted: 2018.04.29 11:27 
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Joined: 2018.04.29 10:02
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Hi,

I am now performing distance distribution analysis using primusqt.
I have some troubles:

1. I managed to obtain the plot which seems to have smooth shape and reasonable Rg compared with the one I obtained from Guinier analysis (Rg = 63.99) (Fig. 1). However, If I unchecked rmax = 0, the value of p(r) at rmax was far from 0 (Fig. 2).

2. I then increased the value of Dmax to make the value of p(r) at rmax come closer to 0. I could get the smooth graph, but in this case, the message "Warning: Dmax*smin greater than pi" appeared and moreover, Rg (72.49) did not fit with the Rg obtained from Guinier analysis (63.99) (Fig. 3).

I want to use this pr function for ab initio modeling by DAMMIN.
I've learned from previous posts that it is not good to use the input file with the warning message for ab initio modeling.
Also, I've read that dmax value would largely affect the result of bead modeling, so I was worrying that I might get wrong bead models if I used pr function which I have shown in Fig. 1.
How can I obtain accurate dmax value in this case?
Thank you so much.


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Figure 1.png
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PostPosted: 2018.04.29 11:35 
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Joined: 2018.04.29 10:02
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I'm sorry, this is Figure 3.


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