[SciPy-User] Asymmetric peak fitting

[jkhilmer at chemistry.montana.edu]

On Wed, Mar 18, 2015 at 9:06 AM, Paweł Kwaśniewski <pawel.kw at gmail.com>
wrote:

> Hi All,
>
> I'm currently trying to fit some experimental data in the form of
> asymmetric peaks. In principle it's difficult to find a distribution
> describing this kind of data. My goal is to get the full width half maximum
> of the peak and the peak position. I tried to look for some ready solutions
> within scipy but could not find any. I did find a nice paper though:
>
> http://arxiv.org/abs/0711.4449
>
> Since it's not so trivial (at least not for me) to implement this, I'd
> like to ask if anyone in the community has already done this (or something
> similar) and would like to share the code.
>
>
There are a few publications detailing modified gaussians for peak tailing
in chromatography:
http://en.wikipedia.org/wiki/Exponentially_modified_Gaussian_distribution.
Be careful about the equations on the Wikipedia page, they are numerically
unstable: reference [http://dx.doi.org/10.1002%2Fcem.1343] for details.  I
have written python versions of those equations which are accurate but not
fast.

Asymmetric peaks are also common in many forms of spectroscopy, especially
mass spectrometry.  I have also written Scipy code to fit peaks for that
application.


Jonathan
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