[RMCProfile-users] about using RMCProfile to simulate PDFgetX3 S(Q) and G(r)

[wojciech.slawinski at stfc.ac.uk]

Dear Weixin,
I know it is really confusing since there are that many representations of PDFs. For details you can have a look into RMCProfile manual and also D.A. Keen, "A comparison of various commonly used correlation functions for describing total scattering", J. Appl. Cryst., 34, 172-177 (2000).

But just answering your question:
1. G(r)(obtained from PDFGetX) = D(r) / (Sum cibi)^2   (see equation 44 in D. Keen 2000) 
  This function is not currently supported by RMCProfile but will be in the next release
2. F(Q) obtained from PDFGetX) = QF(Q) and this can be used in RMCProfile now.

With best regards,
Wojciech Slawinski (STFC,RAL,ISIS)
RMCProfile Developer

-----Original Message-----
From: rmcprofile-users [mailto:rmcprofile-users-bounces at shadow.nd.rl.ac.uk] On Behalf Of ???
Sent: 26 October 2017 12:31
To: rmcprofile-users at rmcprofile.org
Subject: [RMCProfile-users] about using RMCProfile to simulate PDFgetX3 S(Q) and G(r)

Dear all

Hello everyone!

I am using RMCProfile to simulate my PDFgetX3 S(Q) and G(r), but I have noticed that they are quite different from that in the RMCProfile manual. So I want to ask you that is PDFgetX3 G(r)=RMCProfile D(r)? And is RMCProfile F(Q)=PDFgetX3 (S(Q)-1)? 

Thank you very much!

Yours sincerely,
Weixin Yao
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