[RMCProfile-users] Scale factor

helen.playford at stfc.ac.uk helen.playford at stfc.ac.uk
Thu Apr 9 09:14:53 BST 2015

Hi Alex,

When I’ve tested this the FITTED_SCALE keyword has worked as intended for X-ray data (using the XRAY RECIPROCAL SPACE DATA :: keyword block). There is a quirk in the programming where if you put a double colon after it (like some other keywords have) then this keyword will stop working. If you are using the keyword so it looks like:


Then it ought to work. Maybe something else is causing problems? Could you tell us a little bit more about your  simulations? What keyword blocks/data do you have in your .dat file?

Best wishes,

From: rmcprofile-users [mailto:rmcprofile-users-bounces at rmcprofile.org] On Behalf Of Alejandro Fernandez-Martinez
Sent: 02 April 2015 14:56
To: rmcprofile-users at rmcprofile.org
Subject: [RMCProfile-users] Scale factor

Dear list
We are doing RMC simulations of X-ray data. We have included the Fitted_scale keyword.  It looks to us that this is not working. Is there any trick associated with the use of this keyword?


Alex.Fernandez-Martinez at ujf-grenoble.fr<mailto:Alex.Fernandez-Martinez at ujf-grenoble.fr>

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