topic Re: Fit multiple peaks on a FTIR spectrum data in Discussions

Fit multiple peaks on a FTIR spectrum data

LGaspard_98 — Wed, 11 Sep 2024 00:49:58 GMT

Hi all,

I would like to know if it was possible to fit multiple peaks (a lot, more than 10) from a FTIR spectra using JMP? I have read some things about using the modelling "Fit Curve"or "Fit non-linear" but it tries to fit one single curve for the entire set of data instead of individual peaks.

Thanks,

Louis

Re: Fit multiple peaks on a FTIR spectrum data

Victor_G — Wed, 11 Sep 2024 11:07:12 GMT

Hi @LGaspard_98,

Welcome in the Community !

For the analysis of spectral data, I would recommend trying the Functional Data Explorer. This platform comes with many interesting modeling options (Wavelets models, Multivariate Curve Resolution, Peak Finder, ...) for spectral data.

There are some ressources that can help you using this platform and give you some ideas for modeling :

Peaks, Pipes, Presets, Profiles, and Python in JMP® 18 - JMP User Community

I hope this answer will help you,

Re: Fit multiple peaks on a FTIR spectrum data

Ben_BarrIngh — Wed, 11 Sep 2024 13:14:07 GMT

Hi @LGaspard_98 ,

As Victor mentioned, we have a lot of valuable tools available in the Functional Data Explorer tool to pick and model peaks, we can also perform multivariate modelling, with techniques like Partial Least Squares that can work well to create a predictive model of multidimensional spectra data.

Here is a great guide on spectral analysis in JMP: https://www.jmp.com/en_gb/articles/analyzing-spectral-data-modeling-options.html

Do you have an example of what you're trying to achieve? An example dataset?

Re: Fit multiple peaks on a FTIR spectrum data

LGaspard_98 — Fri, 13 Sep 2024 06:40:16 GMT

Hi Victor and Ben,

Thanks for your feedback. I should have mentioned, I have JMP Student so have some restrictions as to which analysis I can perform. So I don't have access to the Functional Data Explorer, even though it looks like exactly what I need... !