The Spectra Projector module displays the results of a Principal Component Analysis (PCA) and Fuzzy Clustering (FC) methods. In Spectra Projector, mass spectra are projected as points on a two-dimensional plane or a three-dimensional twistable space, according to user-selected principal components (PCA) or cluster combinations (FC). The objective of classification analysis is to find classes of spectra on the projection that exhibit common or similar properties. Spectra Projector also allows the user to place an external spectrum onto a projection in order to examine its class membership.

Classification can also be applied to spectra that cannot be distributed a priori into groups. In this case, we should classify only one group of spectra, and attempt to find points on the projection that represent compounds with the desired properties. Spectra Projector allows the user to select such points, in order to examine their spectra and structures.

Spectra Projector topics:

Generating Spectra Projector

Spectra Projector Window

3D Projection Mode

Opening and Saving of Classification Results

Accessing Spectra from Spectra Projector

Adding External Spectrum to Projection