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Fixed Gaussian curve Peak Transfer overfitting #574

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merged 1 commit into from
Dec 3, 2024

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Mailaender
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#556 already improved the situation because it adjusts the narrowness of the curves, but we can do better by trimming sigma even further until it fits under the total signal. This optimization function takes some time, so I added a progress monitor. Step size is also optimized for speed and could be reduced for better fits, but it didn't matter too much in my test data.

@eselmeister
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Don't forget to put yourself in the header.

@eselmeister eselmeister merged commit 60463e2 into OpenChrom:develop Dec 3, 2024
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@Mailaender Mailaender deleted the opt-gauss branch December 3, 2024 16:29
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2 participants