RMC profile files

fred

Hi all,

I was just wondering if anyone has already written macros in Topas for obtaining the .bragg, .back and .inst files for RMC Profile? I don't think they're particularly complicated to obtain, but thought I'd check first.

Thanks,
Fred

fred

Hi Alan (and anyone else that knows the answer),

How is the scale factor defined in Topas? I know that some software define it as
(1/c)*Ycalc
or
c*Ycalc

But is there anything else to it?

Thanks,
Fred

alancoelho

Hi Fred

I don't know what .bragg, .back or .inst files are in regards to RMC profile files. The Rietveld scale parameter simply multiplies the calculated pattern.

fred

Ok, thanks Alan.

johnsoevans

I don't think this is easy at the moment.

It is easy in principle, but rmcprofile only knows the exact gsas peak shape formula. You'd therefore need topas to be precisely mimicking the gsas equation or you're lost. I've discussed this with Matt Tucker and others over several years. Unfortunately I don't think anybody has got round to doing this yet. It would be useful.

fred

Thanks John, yeah it would be extremely useful. I attempted adding macros to my input files for outputting this information, but gave up as I was unable to match things up exactly (except for the background).