Spectrum Decomposition

The Spectrum Decomposition module helps you interpret the components of a mixture spectra by fitting to the known intrinsic extinction profiles (basis vectors) of each component. Using CSV inputs, you can load a mixture spectrum and one or more basis spectra, fit the basis set to the mixture, and quantify the percent contribution of each component. The module also includes a vector-angle tool to compare spectra and measure the angle between two basis vectors.

Spectrum Decomposition

Process:

1. Load Target Spectrum: and Load Basis Spectrum,

To load the target spectrum, click the Load Target Spectrum button and select the csv file from a file manager window. A Load CSV Files window will pop-up to select the Delimiter-separated value, edit the header and inspect data.

Load CSV File

2. Click Accept and the data will be imported and displayed on the Absorbance and Extinction Profile plot. Repeat for each basis vector by clicking the Add Basis Spectrum button and load the intrinsic spectrum profile.

Loaded Spectrum Decomposition

3. Find profile overlap and Fit Data

Cut the dat by clicking Find Extinction Profile Overlay and trimming the data to the overlapping wavelength regions. After fitting the data and the solution curve and the residuals of the fit displayed it the Wavelength Spectrum Fit and Residuals plots.

Spectrum Decomposition