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

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Range of Y values versus X value Perform statistical calculations on a group of spectra 1. Select the spectra. 2. Choose Statistical Spectra from the Analyze menu. The Statistical Spectra dialog box appears. 3. Select the desired format of the data in the Data Format box. The spectra will be converted to the selected format before the calculations are performed. If you want the current Y-axis format of the spectra to be used, select Y-axis units. If you want the spectra converted to the first or second derivative, select First derivative or Second derivative, respectively. 242 Thermo Nicolet
4. Select the calculations you want to perform by turning on the appropriate check boxes in the Save Format box. 5. Specify where to display the results by selecting an item from the dropdown list box at the top of the dialog box. 6. Choose OK. • If you specified that the results be added to an existing spectral window, the results are displayed in that window. • If you selected Add To A New Window, and Prompt For New Window Title is turned on in the Window options, the New Window dialog box appears. Type a title for the spectral window and then choose OK. The results are then displayed in the new window. Setting up a spectral search or QC comparison Use Library Setup in the Analyze menu to specify how to perform a spectral search of one or more search libraries to identify an unknown spectrum, or a QC comparison of one or more QC libraries to verify the composition of a sample. Setting up a search or comparison consists of the basic steps described below. The features you need to perform these steps are on tabs in the Library Setup dialog box. To display a tab, click its name near the top of the dialog box. Complete procedures for setting up a spectral search or QC comparison are provided later. See “How to set up a spectral search” or “How to set up a QC comparison.” 1. Select the search libraries or QC libraries to include by using the Search Libraries tab or QC Libraries tab, respectively. You can create groups of libraries whose spectra you can search or compare at one time. See “Selecting the libraries to include in a spectral search” and “Selecting the libraries to include in a QC comparison” for details. 2. If you are setting up a spectral search, use the Extended Search tab to specify whether and how to use the extended search feature. This feature lets you add search criteria so that only spectra with a specified characteristic or that include particular text are found. The Extended Search tab does not affect QC comparisons. See “Using extended search” for details. 3. If you are setting up a spectral search, specify the kind of search results you want using the Search Results tab. You can use the “search expert” or specify the search type (algorithm), number of spectra to find and a minimum match value. The Search Results tab does not affect QC comparisons. The search expert always searches the region from 2600 to 450 wavenumbers. See “Specifying the search results” for details. OMNIC User’s <strong>Guide</strong> 243
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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
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Type the desired minimum peak-to-pe
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Setting Boxcar N-B* Weak N-B* Mediu
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As an example, for a standard DTGS
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If you have installed a Smart Acces
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• Install a 32-bit version of OMN
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• To save the settings in the cur
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The positive settings move your vie
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What happens during collection? The
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3. Choose Collect Sample from the C
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Note To store the spectrum on the h
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Viewing the age of the background D
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If Preview Data Collection is turne
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If at any time the system condition
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Undo a display limit change Choose
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To specify this or do this... The n
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To remove the grid from a spectral
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Note You can display annotations ve
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This format is suitable for high re
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Specifying the sampling information
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Stacked spectra Stacking spectra is
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Full Scale brings the highest data
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Match the Y-axis scale of a spectru
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Display spectra vertically offset 1
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Display spectra full scale automati
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Displaying and using a toolbar Use
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Converting spectra to absorbance Us
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The units are described in the next
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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
Page 246 and 247: Click the Print button in the Find
Page 248 and 249: 6. To display or remove the Y-axis
Page 250 and 251: 3. Choose Average from the Process
Page 254 and 255: 4. If you are not using the search
Page 256 and 257: Using extended search The Extended
Page 258 and 259: When you perform the search, the ex
Page 260 and 261: All the QC libraries and library gr
Page 262 and 263: Set up a spectral search (The proce
Page 264 and 265: 7. Specify the number of found libr
Page 266 and 267: 5. Specify the spectral regions to
Page 268 and 269: Search a spectral library 1. Use Li
Page 270 and 271: If you did not use the search exper
Page 272 and 273: To print the search expert’s comm
Page 274 and 275: Color-coded titles of the spectrum
Page 276 and 277: To print the spectrum and functiona
Page 278 and 279: You can choose Overlay Spectra from
Page 280 and 281: Working with libraries Click the Li
Page 282 and 283: Once a library is created, you can
Page 284 and 285: 3. Click the name of the user libra
Page 286 and 287: A copy of the spectrum is placed in
Page 288 and 289: • If you are adding more than one
Page 290 and 291: 3. Click the name of the library. T
Page 292 and 293: 9. Choose Search. The search result
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Page 296 and 297: 2. Click the Create/Edit Structures
Page 298 and 299: If you want to print the informatio
Page 300 and 301: 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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