[GSAS-II] phase fraction , data export questions
LiaoNU
liaonu at gmail.com
Thu Feb 18 09:46:33 CST 2021
Dear All,
Could anybody elaborate which fraction (volume or mol) the 'Phase fraction'
refers to? The Wt. fraction is automatically calculated next to the 'Phase
fraction'. I am using GSAS II to fit the fractions of ZrO2 tetragonal and
monoclinic phases. As both phases are ZrO2, shall I expect idental values
for 'phase fraction' and 'wt. fraction' ? But in reality they are not the
same.
Another question is about exporting refinement results. How can I export
calculated spectrum, background, and difference to a txt/csv file, so I can
plot them in other softwares?
Thank you.
Best,
Yifeng
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