What are the different softwares (free and paid) available for multi peak fitting? Any generalized reference on the theory of different peak shapes?

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Sergey Bychikhin

Very good Software for nonlinear Fitting is Origin Lab. See link: www.originlab.com You can use also Matlab for nonlinear Peak Fitting, but there it is more like programming: www.mathworks.com

Alberto Wolfenson

PeakFit (http://www.sigmaplot.co.uk/products/peakfit/peakfit.php) is a specific software to fit multiple peaks . It has a variety of functional forms and its help includes all theoretical information about them.

Matthijs van Spronsen

Wavemetrics Igor Pro will also do the job. This software package is very powerful, comparable to Origin, but it is not free.

Regarding the peak shape, there is no general answer to your question. You need to consider the physics that is behind the process.