ClaritySpectra: Raman spectra analysis tool

media

posted on 2025-05-05, 02:24 authored by Aaron CelestianAaron Celestian

Software that covers most of your Raman needs.

Robust Search-Match of minerals/plastics, and it has lots of optional filters.
Four algorithms to choose from: Correlation, Peaks only, Correlation+Peaks, and Machine Learning dynamic time warping for those spectra that don't want to cooperate
A nice spectral comparison window with database search/add features to overlay spectra
Difference curve so you can see what fits and what doesn’t
And a new experimental feature: Predictive chemistry heatmaps based on spectral correlations.
There are three reporting options: PDF with figures, CSV, and TXT

You can add/subtract spectra from the database, and even add your own tags in the user search filter (I call it Chemical Family)
Add as much metadata as you like to your spectra and load it into the database.
Have friends that also do Raman? You can batch import your friends data into your database!
Pre-compiled database from RRUFF and SLOPP that includes Hey Index of classification, chemistry, locality, paragenesis, mineral evolution stage, etc.

Automated background subtraction using asymmetric least squares fitting
A new suggested background feature that lets you preview the background that you like best
Interactive background fitting lets you further tune the background to perfection
Four choice of peaks: Gaussian, Lorentzian, Pseudo-Voigt, and the new Asymmetric Voigt functions
Overlapping view of how well the peaks fit with quality metrics
No need to define regions, the algorithm is smart enough to what a peak looks like.
Save results to file and export vector and bitmap images.

Import any number of spectra that your system can handle
Same background and peak shapes as in Peak Fitting
Automatic background refinement
User selective region fitting to speed fitting times
Graphics analysis with 95% confidence intervals plotted (better than error bars)