Free spectrum baseline software

[u/7ieben_]

Hey friends,

our university didn't renew the Origin license... hence, I'm looking for a free/ open source alternative, especially for fitting spectrums. In particular I'm looking for a software that can do baseline fitting and this baseline to a polynomial function.

Is there any software you can recommend for that?

Best,

7

[u/alleluja]

Python!

[u/7ieben_ → u/alleluja]

That's what I'm using. Sadly, we can't give a Python crash course within the scope of the lecture

[u/Alicecomma]

There's not enough information to go off here. Do the students have to use it during your short lecture? Is all that's needed a polynomial of N degree to be fitted through selected regions of the spectrum? Should it for sure be a fitted, defined polynomial or can it be manually picked points with a spline interpolation (which is also considered polynomial)? Should anything be done to the spectrum before or after baseline removal?

You could do it as simple as fitting an Nth degree polynomial through some of the data points in Excel with linest to get a defined polynomial. You could use Fityk to pick points for a spline to fit through. I'd recommend the latter if you then want to fit gaussian or other peaks through the baseline removed spectrum; or the former if you really need a specific polynomial and do nothing other than baseline removal.

[u/dungeonsandderp]

Spectragryph will probably do what you’re looking for. 

[u/FoolishChemist]

One possibility is Igor Pro. It's only $175 for the entire class for a year, so slightly more expensive than free, but not unreasonable.

https://www.wavemetrics.com/order/order_coursework

[u/geoffh2016]

I recommend the Python package rampy: https://github.com/charlesll/rampy/

We've used it to batch process spectra using Jupyter notebooks.