CRYSOL shows DAMMIN result not good

Ab initio modelling: DAMMIF, DAMMIN, GASBOR, MONSA
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woodheart
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Joined: 2015.11.09 20:41

CRYSOL shows DAMMIN result not good

#1 Post by woodheart » 2015.11.09 22:37

I'm a new user of ATSAS.

I ran DAMMIN/DUMMIF to generate envelope from my SAXS data. The models they gave seem great (chisq=0.895). Then I ran CRYSOL to evaluate the model. But this time chi= 7.507. I'm wondering what's the cause of this inconsistency and how to improve the model.

Thank you so much!
Xiaoming
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franke
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Re: CRYSOL shows DAMMIN result not good

#2 Post by franke » 2015.11.10 10:01

Because CRYSOL assumes an atomic model, you provide a dummy atom model. Use DAM2IS instead.

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