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

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Converting spectra to absorbance Use Absorbance in the Process menu to convert spectra to absorbance units (see the example below). Absorbance units show the amount of infrared energy absorbed by the sample. The absorbance scale is useful in many areas of spectral analysis. You should normally convert spectra to absorbance before performing these tasks: • Quantitative analysis. Since absorbance varies linearly with concentration in most cases, it is the basis of all FT-IR quantitative analysis. • Subtracting one spectrum from another. • Correcting the baseline of a spectrum. • Searching a spectral library to identify an unknown spectrum (qualitative analysis). Absorbance at a frequency is defined by the equation A = log(100/%T) where %T is the percent transmittance value. Convert spectra to absorbance 1. Select the spectra. 2. Choose Absorbance from the Process menu. 186 Thermo Nicolet
Converting spectra to % transmittance Use % Transmittance in the Process menu to convert spectra to % transmittance units (see the following example). These units show the relative amount of infrared energy transmitted through the sample. For historic reasons published infrared reference spectra are generally presented in % transmittance. It is easier to compare spectra qualitatively when they are presented using the same Y-axis format. The % transmittance format is generally not as good as absorbance for manipulating data and performing quantitative analyses. Percent transmittance at a frequency is defined by the equation %T = (S/B)*100 where S is the intensity of infrared energy through the sample and B is the intensity of infrared energy without a sample in place. B is called the background. Convert spectra to % transmittance 1. Select the spectra. 2. Choose % Transmittance from the Process menu. Converting spectra to special units Use Other Conversions in the Process menu to convert spectra to the following units. Y-axis units: X-axis units: • Kubelka-Munk units • wavenumbers • photoacoustic units • micrometers • % reflectance units • nanometers • log (1/R) units OMNIC User’s <strong>Guide</strong> 187
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The information in this publication
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Peak area tool.....................
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Checking spectrometer performance a
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Process............................
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Selecting, editing or creating a re
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How to use this manual This manual
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• If you do not have the DS optio
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Note If you have the DS option, you
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Digital signature information in a
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There are several ways to enter the
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Note Some tutorials are available o
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Note If you are using Windows 2000
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Panes A pane is an area of the spec
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Displaying a list of spectrum title
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Displaying a different spectral reg
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Copying information to the Clipboar
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Note You can select all the display
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Next, hold down the Shift key and c
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Region tool Some OMNIC commands can
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You can position the annotation tex
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You can position the annotation by
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2. Click the Annotate button to the
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The corrected area is bordered by t
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2. Edit the label text if desired.
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Overlaying spectra lets you see sig
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When you hide a stacked spectrum, a
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If a pane containing a spectrum is
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46 Thermo Nicolet
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File Type Extension Comments Spectr
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The settings available in the Y Uni
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If Put Opened Spectrum In New Windo
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3. If the Save As dialog box appear
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2. Choose Save Group from the File
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2. Locate and select the desired fi
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Save a configuration This procedure
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A dialog box appears. 2. Type a use
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Note The Enable OMNIC Log-In comman
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Note If a spectrum has been pasted
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Delete files 1. Choose Delete Files
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When you cut a displayed stacked sp
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Pasting duplicate images of spectra
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Note The options you set using Opti
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File Type Initial Spectra Initial E
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Normalize the spectra of standards
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In the upper-left corner of the dia
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Type Annotation Axis Labels Axis Nu
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Specifying how to print axes The op
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Text Type Annotation Axis Labels Ax
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Note If you have turned off Prompt
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Setting Smart Purge The Smart Purge
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Specifying how to list peaks found
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4. Collect a sample spectrum with n
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To specify or do this... The X-axis
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Turn on Display All Annotation if y
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Item Company Name Spectrum Title Da
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Preventing the overwriting of files
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State Enabled Disabled Hidden Descr
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6. If you disabled or hid the Save
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5. Specify the size of the toolbar
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Note You can create an image for a
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The experiment you select also sets
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Note The experiment you select also
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Note If you are studying samples th
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When deciding whether to use this f
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Titling the experiment Bench featur
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The peak-to-peak intensity is the s
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• It helps prevent infrared energ
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Specifying the beamsplitter type If
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The parameter checks appear when yo
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The individual checks are described
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Fringes result when back reflection
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A beamsplitter, detector, source or
Page 146 and 147: Type the desired minimum peak-to-pe
Page 148 and 149: Setting Boxcar N-B* Weak N-B* Mediu
Page 150 and 151: As an example, for a standard DTGS
Page 152 and 153: If you have installed a Smart Acces
Page 154 and 155: • Install a 32-bit version of OMN
Page 156 and 157: • To save the settings in the cur
Page 158 and 159: The positive settings move your vie
Page 160 and 161: What happens during collection? The
Page 162 and 163: 3. Choose Collect Sample from the C
Page 164 and 165: Note To store the spectrum on the h
Page 166 and 167: Viewing the age of the background D
Page 168 and 169: If Preview Data Collection is turne
Page 170 and 171: If at any time the system condition
Page 172 and 173: Undo a display limit change Choose
Page 174 and 175: To specify this or do this... The n
Page 176 and 177: To remove the grid from a spectral
Page 178 and 179: Note You can display annotations ve
Page 180 and 181: This format is suitable for high re
Page 182 and 183: Specifying the sampling information
Page 184 and 185: Stacked spectra Stacking spectra is
Page 186 and 187: Full Scale brings the highest data
Page 188 and 189: Match the Y-axis scale of a spectru
Page 190 and 191: Display spectra vertically offset 1
Page 192 and 193: Display spectra full scale automati
Page 194 and 195: Displaying and using a toolbar Use
Page 198 and 199: The units are described in the next
Page 200 and 201: The photoacoustic value (PAS) at a
Page 202 and 203: Micrometers Select Micrometers to c
Page 204 and 205: 4. Choose OK. • If you selected K
Page 206 and 207: • To change the final format. You
Page 208 and 209: What is a baseline? A baseline cons
Page 210 and 211: Important Be careful not to introdu
Page 212 and 213: The X and Y values of the point app
Page 214 and 215: 8. When you are finished correcting
Page 216 and 217: Before searching an ATR spectrum ag
Page 218 and 219: • A spectrum includes the region
Page 220 and 221: Replacing a spectral region with a
Page 222 and 223: Subtracting spectra Use Subtract in
Page 224 and 225: 2. Choose Subtract from the Process
Page 226 and 227: Subtracting a component or contamin
Page 228 and 229: Note If negative peaks appear in th
Page 230 and 231: 3. Select the desired number of smo
Page 232 and 233: Converting spectra to their first o
Page 234 and 235: Multiplying a spectrum by a number
Page 236 and 237: Symbol Meaning Examples / Divide. A
Page 238 and 239: • To change the factor using the
Page 240 and 241: Here is the normalized spectrum: In
Page 242 and 243: Normalize the scale of spectra 1. S
Page 244 and 245: Example libraries The following sec
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Click the Print button in the Find
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6. To display or remove the Y-axis
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3. Choose Average from the Process
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Range of Y values versus X value Pe
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4. If you are not using the search
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Using extended search The Extended
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When you perform the search, the ex
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All the QC libraries and library gr
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Set up a spectral search (The proce
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7. Specify the number of found libr
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5. Specify the spectral regions to
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Search a spectral library 1. Use Li
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If you did not use the search exper
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To print the search expert’s comm
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Color-coded titles of the spectrum
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To print the spectrum and functiona
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You can choose Overlay Spectra from
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Working with libraries Click the Li
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Once a library is created, you can
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3. Click the name of the user libra
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A copy of the spectrum is placed in
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• If you are adding more than one
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3. Click the name of the library. T
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9. Choose Search. The search result
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The kinds of information displayed
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2. Click the Create/Edit Structures
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If you want to print the informatio
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When you are ready to start printin
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You can only add the spectrum to a
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3. If you want to reset the data co
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Follow these general steps to creat
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Type Spectrum Comments Spectrum Cus
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3. Specify the item type by selecti
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5. Choose Preview/Print Report from
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4. If the item type is Spectral Win
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The page number of the currently di
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7. Close the Report Template window
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Adding a report to a notebook Use A
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To view a report notebook, use View
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Searching for text Click the Search
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Express dates on this tab in the fo
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5. To search for reports that conta
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Note When windows are tiled, they m
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atmospheric effects suppressing, 94
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status of, 148 time for, 115, 116,
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detector interface kit, 123 detecto
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finding peaks, 235 fingerprint regi
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special criteria for, 246 spectral
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OMNIC Atlµs default directory, 76
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Process options, 90 Protégé spect
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experiment, 114, 146 default direct
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detector, 127 filter for, 139 for c
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displaying, 14, 20, 39, 95 color fo
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text adding to report template, 297
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x X-axis, 14, 17 display limits, 17
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