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In the Settings tab, choose the Covariance Matrix for Analyze option.Set Long Name for Spectra Names, and use Comments as Group Info. Select the other Y columns as Spectra Data. In the dialog’s Input tab, select the (first) X column in Sheet1 as Frequency/Wavelength.Click the Principal Component Analysis for Spectroscopy icon in the Apps Gallery window to open the dialog. Open the sample project file PCASpecEx.opj.When plotted as a line plot, the spectra for 20 samples look like the following: Other columns (B(Y) – (U(Y)) are spectra data, and group info for 20 samples are saved in Comments for each Y column. The first column in the sheet (A(X)) holds time data for spectra. The 20 samples consist of 10 olive oil samples, 5 non-olive vegetable oil samples and 5 non-olive vegetable oils mixed with olive oil samples. The input data consists of 20 samples from 120 samples in the original source data. Book1, Sheet1 contains the input data, and the Notes window shows the input data’s source. You will see that it includes a Workbook and a Notes window. Open the project file PCASpecEx.opj in the folder. This opens the folder for the sample project file.
#Origin pro 8 spectroscopy smooth lines install#
Once you install the App, 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. Sample names and group info for samples can be set in column headers of samples, e.g. Frequency, wavelength or time for the spectra can be in the X column. This App can help resolve these issues.īefore using the Principal Component Analysis for Spectroscopy App, spectra data for samples must be arranged in a worksheet, each column representing a sample spectrum.
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In chemometric analysis, researchers want to know which variables (frequency, wavelength or time) are important in distinguishing samples by their spectra, which samples can be allocated to a group, and to detect outliers in these samples. The App is specifically designed to perform principal component analysis for spectra (IR, Fluorescence, UV-Vis, Raman, etc.). For Origin 2017, a Principal Component Analysis for Spectroscopy App is available.