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Visual unit cell fitting
When you have a multi-phase sample, the peak overlap becomes a serious problem in phase identification. In fact, accurate assignments of diffraction peaks are very important for the successful unit-cell refinements and Rietveld refinement.
In the JCPDS
tab, the excel style table allows you to change the b/a and c/a ratios, as well as other parameters. By adjusting these two values, you can improve the match between the predicted peak positions from JCPDS and the observed positions. You may also tweak V0, which will move all the peaks to the same direction.
In a tweak
fitting, the volume is always fixed to the value predicted from EOS at the pressure and temperature conditions you have. So you can think of this as a constrained visual unit-cell fitting.
A useful tool PeakPo
provides is the jcpds bars. You can control the height and position of the jcpds bars in the jcpds
tab. PeakPo
provides further control of the jcpds
bars in the Main
tab. If you check the jcpds by int
box, you will see bar heights proportional to their expected intensities. If you uncheck the box, PeakPo
will show GSAS
style tick marks for the positions. For this view, you can slide the tick marks up and down using the horizontal sliders in the jcpds
tab. By adjusting the position and height, you can move the tick marks for your phase in unit-cell fitting near the observed diffraction pattern.
Data types and functions
Plot and sidebars
Toolbars
Base pattern
Waterfall patterns
Background subtraction
Setup
Control gray scale
Azimuthal integration
JCPDSs
JCPDS, control the view
Make a jcpds from cif
Workflow
Tweak
Save Tweak to JCPDS
Get Tweak result
Peak fitting
Unit-cell fitting
Session
Output files
Publication-ready Cake plot
Illustrator-ready PeakPo plot
Install in anaconda
Update
Run PeakPo in python
Update history
Issues and Suggestions
Environments | FBS setup | APS setups
PeakPo with Jupyter