[RMCProfile-users] x-ray reciprocal space data problem

[张玲]

Hi everybody，

I'd like to ask you a question.

I used BVS constrain to fit x-ray reciprocal space data. My sample is crystallized so I used two models as initial configurations respectively, random model and crystalline model. I can get the result in “out” file in which contains “Partial g(r)'s” and “Total F(Q)'s: Comparison with input data” . There are three columns in “Total F(Q)'s: Comparison with input data”, which are Q,  F(Q)_RMC and F(Q)_Expt. I found that when I use crystalline model, in the end F(Q)_Expt is different from my input F(Q) data.

Have you ever had a similar problem? Any advices on how to solve this problem would be greatly appreciated! 

Thank you!

Ling Zhang