I am looking at glasses and the effect a certain component has on the peak positions and intensities. I do not have any complimentary techniques as of yet to help me analyse the data such as NMR.
Peak fitting of your curves may provide a more quantitative analysis of spectral changes than simply eyeballing stacked spectra. For example, this may allow you to quantify changes in peak profiles as well as positions. As with most analyses though, you will probably need supporting data from other techniques to obtain a compete picture.
If you have a quasi-continuous variation of composition, then a multivariate regression such as PLSR might help.
Preston, it seems.the link is not working. Could you provide another link please?
You can use peak fit software, which allows you to fit the peaks without any confusion and it will be easy for you to obtain the changes in the peak intensity and their position. Also, calculating the area under the curve gives you the cation coordination number if you wish to calculate that.
There is a number of options. I suggest a simple principal component analysis (PCA), where you will be able to see a sample variation pattern in the PCA scores and the weight for each peak in the PCA loadings.
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