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Thermonicolet Omnic Software User's Guide 6.1 (PDF) - Charles E ...

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3. Select the desired number of smooth points from the drop-down list box.<br />

The value to the right of the number of points represents the frequency range<br />

that is considered when smoothing a point in a spectrum. The value is the<br />

product of the number of smooth points and the data spacing of the spectrum.<br />

4. Choose OK.<br />

Smoothing spectra<br />

■<br />

■<br />

The Savitsky-Golay algorithm smoothes all sharp peaks, including sample<br />

peaks. Be careful when smoothing spectra with real spectral absorptions that<br />

are narrow, since these features will also be smoothed.<br />

Smoothing degrades the effective spectral resolution of the data and can<br />

remove (“smooth out”) small spectral features. If possible, collect more scans<br />

instead of smoothing.<br />

Smoothing spectra<br />

automatically<br />

Use Automatic Smooth in the Process menu to improve the appearance of the<br />

selected spectra by automatically smoothing the high-frequency component of the<br />

sample data. Smoothing is useful for improving the appearance of peaks obscured<br />

by noise.<br />

Note<br />

If you want to smooth spectra manually by specifying the degree of smoothing<br />

(setting the number of points), use Smooth. To smooth spectra automatically, use<br />

Automatic Smooth. An automatic smooth often gives a satisfactory result and is<br />

faster than a manual smooth. See “Smoothing spectra” for more information. ▲<br />

Smooth spectra automatically<br />

1. Select the spectra.<br />

2. Choose Automatic Smooth from the Process menu.<br />

Smoothing spectra automatically<br />

■<br />

■<br />

The effects of successive automatic smoothing operations are cumulative:<br />

each time you smooth the same spectrum, the peaks become broader and of<br />

lower intensity.<br />

Be careful when smoothing spectra with real spectral absorptions that are<br />

narrow since these features will also be smoothed.<br />

Changing the data<br />

spacing of spectra<br />

Use Change Data Spacing in the Process menu to change the spacing of the data<br />

points in the selected spectra to a value you select. Data spacing is the number of<br />

wavenumbers between data points in a spectrum. It is determined by the resolution<br />

and zero filling settings used when you collect the spectrum.<br />

If you use this command to change the data spacing of a spectrum to a higher<br />

value, the software deresolves the spectrum. If you change the data spacing of a<br />

spectrum to a lower value, the software zero fills the data; that is, it adds<br />

interpolated data points between the existing data points.<br />

220 Thermo Nicolet

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