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Description
Hi @briantoby For GSAS-II tutorials repo, I know how to make new tutorials but I forget how we make changes to those existing ones. By going through the RMCProfile tutorial-I, I found several issues that we may need to change and I list them all below. If you can help tell me how to make changes to the existing tutorial, I can do that and submit a PR. Thank you so much!
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RMCProfile website
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RMCProfile package save location
we should mention that if RMCProfile is not installed into the GSAS-II directory, we can still use it by setting the preference variable
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All files (*,*) -> any file (*,*)
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Next will be a file selection dialog for the instrument parameter file => you may need to change the file type to GSAS-II iparm file (*.instprm)
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Double click the Style column heading and => Double click the Style column heading, check both atoms and ...
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Only
difbcannot be used. -
Compute/Compare => Compute/Compare polyhedral
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X-Delta, Y-Delta and Z-Delta -> Explanation?
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Data & fit type options in dropdown => this is more for future implementation
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Reminder about the MacOS security setting, see details here.
N.B. In the most recent RMCProfile package, we can do the automatic weight optimization so that we no longer need to manually set weight to data sets. We need to make changes in both the GSAS-II code concerning the RMCProfile files generation and the tutorials to reflect this change.