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

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Normalize the spectra of your standards and unknown samples if you are<br />

developing or using a quantitative analysis method on more than one<br />

spectrometer. You should also normalize noncalibrated spectra; that is,<br />

JCAMP-DX spectra, spectra from CSV (comma-separated values) text files, and<br />

spectra collected using dispersive instruments.<br />

The frequency is normalized only if it is not equal to the reference frequency and<br />

the difference between the two is less than 20 wavenumbers.<br />

Important<br />

Normalizing the frequency of spectra guarantees that data points occur at the same<br />

frequency positions. This lets you move data between spectrometers without the<br />

problems associated with inconsistent data point positioning. However, if you plan<br />

to analyze sample spectra using previously calibrated quant methods developed<br />

with a version of OMNIC earlier than 3.0, do not normalize the frequency of the<br />

sample spectra. If you normalize your sample spectra and attempt to use a<br />

calibrated method whose standards were not normalized, the data will not match<br />

and the analysis will fail. ▲<br />

Normalize the frequency of a spectrum<br />

1. Select the spectrum.<br />

2. Choose Normalize Frequency from the Process menu.<br />

Normalizing the frequency of a spectrum<br />

■<br />

■<br />

If you want the frequency of spectra you open or collect to be normalized<br />

automatically, turn on Normalize Frequency in the File options or Collect<br />

options (both available through Options in the Edit menu). See “Normalizing<br />

the frequency automatically” in the “Edit” chapter for complete information.<br />

When you normalize the frequency of a spectrum, a record of the operation is<br />

made in the “DATA PROCESSING HISTORY” section of the Collection<br />

And Processing Information window.<br />

Normalizing the<br />

scale of spectra<br />

Use Normalize Scale in the Process menu to change the Y-axis scale of the<br />

selected spectra to a “normal” scale in which the Y values of the data points range<br />

from 0 absorbance units for the lowest point to 1 absorbance unit for the highest<br />

peak (for an absorbance or absorbance-like spectrum) or from 10% to 100%<br />

transmittance (for a transmission or transmission-like spectrum). These normal<br />

scales are typical of spectra in commercial spectral libraries.<br />

In a transmission experiment a thick sample of a material absorbs more infrared<br />

energy than a thin sample, resulting in greater peak heights. Normalizing the spectra<br />

compensates for this pathlength effect and lets you compare their peak heights.<br />

In the case of an absorbance spectrum, Normalize Scale first shifts the spectrum<br />

vertically to bring the lowest Y value to 0 absorbance, regardless of whether the<br />

lowest value is currently above or below 0. The software then multiplies the<br />

spectrum by a scaling factor to make the highest value 1 absorbance unit.<br />

Here is an example of an absorbance spectrum before being normalized:<br />

OMNIC User’s <strong>Guide</strong> 229

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