Drag-and-drop the project file PCASpecEx.opj from the folder onto Origin. Right click on the Principal Component Analysis for Spectroscopy icon in the Apps Gallery window, and choose Show Samples Folder from the short-cut menu. If Show Confidence Ellipse option is checked in Plots tab, a Matrix book will also be created. Click OK button, a report sheet, a report data sheet and a plot data sheet will be created.The last two can allow whether to show confidence ellipse and labeling outliers. All except Scree Plot support to show two components or three components in the plot. In Plots tab, specify whether to create Scree Plot, Loading with Reference Spectrum Plot (Vertically stacked multiple panels plot of loading along with a sample's spectrum), Loading Plot, Score Plot and Biplot.In Quantities to Compute tab, check options to control which results to output in Report Data sheet.Standardize Scores option will standardize scores of each component to set their variance to be 1.
Number of Components to Extract is used to control outputs of loadings, scores and their plots. In the Settings tab, Analyze option determines whether to standardize rows ( Correlation Matrix) or not.You can also optionally choose a column for Frequency/Wavelength, which will be used for labels in Loading Plot, choose Spectra Names for labels in Scor Plot, and Group Info can be used to divide samples in Score Plot. In the Input tab, choose input data for Spectra Data.Įach column should represent a sample's spectrum.Click the Principal Component Analysis for Spectroscopy icon in the Apps Gallery window to open the dialog.An icon will appear in the Apps Gallery window.
Find important wavelengths/frequencies in the spectra.This tool performs principal component analysis for spectra (IR, Fluorescence, UV-Vis, Raman, etc.).