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

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The kinds of information displayed will vary depending on whether you selected a commercial library or a library you set up using the Create button in Library Manager. The information described in the following table is normally shown for any library spectrum. Information Compound Entry Library Name Library Index Collected On Spectral Display Compound Type* Compound Name Description The sequential number of the spectrum as currently listed on the Library Names tab. This is often the same as the index number (see the description of Library Index below), if you have listed the spectra by index number rather than by compound name, but may be different if you have deleted spectra from the library and have not compressed it. The name of the library that contains the spectrum. The index number of the spectrum. Each spectrum is assigned a sequential index number when you add it to a library. When the spectrum was collected. An image of the spectrum. The compound type you specified when you added the spectrum to the library. The name of the compound. * This information is displayed only for spectra in QC libraries. 284 Thermo Nicolet
You can edit the text in a custom information field of a user library directly. When you display another library spectrum or a different tab, you are asked whether to save your changes. Respond as desired to the prompt. To see information about the next spectrum in the library, choose Next. To see information about the preceding spectrum, choose Back. If you know the index number of a spectrum, you can display it by typing its number in the Compound Entry text box and then pressing Enter. You can place a library spectrum into a spectral window by double-clicking the spectral display pane on the Library Spectra tab or by clicking the Add To Window button near the top of the tab. When the Add To Window dialog box appears, specify whether to add the spectrum to a new or existing window. To do this, click the arrow to the right of the window selection box and then click the desired option in the list that appears. Click the Add button to add the spectrum to the window. If you selected Add To A New Window and Prompt For New Window Title is turned on in the Window options, a dialog box asks for a title for the new spectral window. Type a title and then choose OK. (If you type the title of an existing window, a new window will be created with that title, resulting in two windows with the same title.) If you have the optional ACD/ChemSketch ® DB software, you can use the Create/Edit Structures button to draw chemical structures. See the next section for details. You can print information contained on the tab by using Print in the File menu. Drawing or editing chemical structures If you have the optional ACD/ChemSketch ® DB software, you can use the Create/Edit Structures button to draw chemical structures and save them with the spectra in a user library. When you later view the spectra on this tab, the structure for each spectrum is displayed in a small window. Also, if a library spectrum with a saved structure is found when you search the library, you can display the structure by selecting the spectrum in the list of matches. Follow these steps: 1. On the Library Spectra tab of Library Manager, display a user library spectrum for which you want to draw or edit a chemical structure. You can display a spectrum by selecting it on the Library Names tab and then clicking the Library Spectra tab or by using the Back and Next buttons on the Library Spectra tab to browse through the spectra.) If you have already drawn a structure for any spectrum in the library, a window shows the structure for the spectrum, if one exists. Here is an example: OMNIC User’s <strong>Guide</strong> 285
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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
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Micrometers Select Micrometers to c
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4. Choose OK. • If you selected K
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• To change the final format. You
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What is a baseline? A baseline cons
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Important Be careful not to introdu
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The X and Y values of the point app
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8. When you are finished correcting
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Before searching an ATR spectrum ag
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• A spectrum includes the region
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Replacing a spectral region with a
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Subtracting spectra Use Subtract in
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2. Choose Subtract from the Process
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Subtracting a component or contamin
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Note If negative peaks appear in th
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3. Select the desired number of smo
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Converting spectra to their first o
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Multiplying a spectrum by a number
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Symbol Meaning Examples / Divide. A
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• To change the factor using the
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Here is the normalized spectrum: In
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Normalize the scale of spectra 1. S
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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 252 and 253: Range of Y values versus X value Pe
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
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
Page 302 and 303: You can only add the spectrum to a
Page 304 and 305: 3. If you want to reset the data co
Page 306 and 307: Follow these general steps to creat
Page 308 and 309: Type Spectrum Comments Spectrum Cus
Page 310 and 311: 3. Specify the item type by selecti
Page 312 and 313: 5. Choose Preview/Print Report from
Page 314 and 315: 4. If the item type is Spectral Win
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Page 318 and 319: 7. Close the Report Template window
Page 320 and 321: Adding a report to a notebook Use A
Page 322 and 323: To view a report notebook, use View
Page 324 and 325: Searching for text Click the Search
Page 326 and 327: Express dates on this tab in the fo
Page 328 and 329: 5. To search for reports that conta
Page 330 and 331: Note When windows are tiled, they m
Page 332 and 333: atmospheric effects suppressing, 94
Page 334 and 335: status of, 148 time for, 115, 116,
Page 336 and 337: detector interface kit, 123 detecto
Page 338 and 339: finding peaks, 235 fingerprint regi
Page 340 and 341: special criteria for, 246 spectral
Page 342 and 343: 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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