How to fit an XRD pattern to ambient solid and liquid patterns to extract qualitatively solid and liquid fractions?

I have diffraction pattern of solid-liquid melting phenomena at various times. How can i use a fitting/superposition process to get the third diffraction pattern by changing weights of the reference solid and diffraction patterns?

Using minimize functions gave lower R-squared value and limited fitting in python, thus trying Matlab to get a better fit of the pattern.

Answer 1

[Star Strider]

It depends what the pattern is, and whether it is 2D or 3D.

MATLAB has several fitting (parameter estimation and optimisation) functions, however the sort of optimisation you perform would be determined by your objective function, and of course the data. You will need to provide more detail, and ideally the data, or a representative sample of the data, and the sort of fitting you want to do.

Consider using the zip function to compress the data in a .zip file if it otherwise would exceed the the 5 MB size limit, or if the file type or extension is not one of those acceptable here. Use the ‘paperclip’ icon to upload it. It is always best to simply post the text of your MATLAB script here, rather than attaching it as a .m file.

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