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Add a 4 Gaussian Model #469

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HKaras opened this issue Mar 15, 2024 · 1 comment
Open

Add a 4 Gaussian Model #469

HKaras opened this issue Mar 15, 2024 · 1 comment
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enhancement New feature or request
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@HKaras
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HKaras commented Mar 15, 2024

A user (Joerg Reichenwallner) has requested that a default 4 gaussian distance model is created.

This time I have another subject of interest. We are seeing a consistent set of 4 distances in our 4pDEER data and I was wondering if DeerLab is capable to tackle that.
So far, I "only" saw a 3 gaussian routine that could be readily used. Is there anything implemented yet in DeerLab which would suffice to handle that 4-distance peak problem?

Maybe we could even expand this to have a generalised n-gaussian model?

@HKaras HKaras added the enhancement New feature or request label Mar 15, 2024
@HKaras HKaras added this to the v1.2 milestone Mar 15, 2024
@stestoll
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Gaussian mixture models with more than 3 components tend to be very difficult to fit, since there are too many parameters. The result is often complete overfitting with uninterpretable results. The only situation where they might work is in the case of a multi-datasetfit, where individual traces isolate 2 of the Gaussian, for example in a titration dataset.

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