[GSAS-II] Weight fraction calculation

[Toby, Brian H.]

Hi Gaia, Yes and no. The refined phase fractions for each phase are proportional to the number of unit cells for each phase, so from that one can compute the fraction of the sample’s mass coming from each phase pretty easily. However, since the phase fractions are determined by the area for each phase’s peaks, the peak areas do determine the mass fractions (~= weight fractions, but as a former NIST employee, I have been trained not to use the latter term.)

Brian

On Jan 23, 2023, at 9:52 AM, Righi, Gaia via GSAS-II <gsas-ii at aps.anl.gov<mailto:gsas-ii at aps.anl.gov>> wrote:

Hello,

How exactly does GSAS calculate the weight fraction of multiple phases in a pattern? Does it involve the area of each phases’ peaks?

Thank you,
Gaia Righi


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