[RMCProfile-users] Data Point Range

[Helen Playford - UKRI STFC]

Hi Andy,

If this is related to your question in the email you sent me a couple of weeks ago (sorry for not replying yet!) then the data you showed was the Bragg data. To increase the range fitted here you need to reduce the DMIN value, however you need to keep the number of fitted Bragg peaks below 12,000 otherwise you might see some strange effects.

Best wishes,
Helen

-----Original Message-----
From: rmcprofile-users <rmcprofile-users-bounces at shadow.nd.rl.ac.uk> On Behalf Of Chun Mann Chin via rmcprofile-users
Sent: 01 June 2020 17:27
To: rmcprofile-users at rmcprofile.org
Cc: Chun Mann Chin <c.chin at sheffield.ac.uk>
Subject: [RMCProfile-users] Data Point Range

Hi all,

I apologise in advance if the question has been asked.

I tried to include more data points in my RMC simulations. However, even if I have extended the range of "NEUTRON_REAL_SPACE_DATA" and "NEUTRON_RECIPROCAL_SPACE_DATA", no extra data points are included in the simulations. Am I missing something important here?

Thank you very much.

Best wishes,
Andy

--
Dr Andy Chin

Department of Materials Science and Engineering University of Sheffield Sir Robert Hadfield Building Mappin Street Sheffield S1 3JD
01142 225510
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