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

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You can only add the spectrum to a library that you created; you cannot add a spectrum to a commercial library. 3. Select the user library you want to add the spectrum to from the list. Note If you want to see information about a library before selecting it, select the library name and then choose Info. A dialog box will appear displaying information about the library. When you are finished reading the information, choose Cancel to return to the Select Library dialog box. ▲ 4. Choose OK. The Add To Library dialog box shows the name of the library and the library index number that will be assigned to the spectrum. 5. In the text boxes below Enter Field Information type the desired information for each field. The first field already contains the title of the spectrum. The kinds of information to be entered in the other text boxes depend on what custom information field names you specified when you created the library. The contents of these fields will be searched when you find spectra by searching for text using the Search For Text tab. 292 Thermo Nicolet
If you are adding spectra to a search library or scrapbook, go to step 7. If you are adding the spectra to a QC library, the dialog box lets you specify whether to add the spectrum to an existing compound type or to a new type. See the next step. 6. To add the first spectrum to an existing type, select Add To Current Compound Type and then select one of the listed types. To add the spectrum to a new type, select Enter A Compound Type and then type a name for the new type in the text box. 7. Choose OK to add the spectrum or OK To All to add all the selected spectra using the specifications you have made for the first spectrum. • If you are adding just one spectrum and chose OK, or if you are adding more than one spectrum and chose OK To All, the procedure is finished (unless a spectrum fails a specified check; this is explained below). • If you are adding more than one spectrum and you chose OK, information for the next selected spectrum appears. Make the desired changes and then choose OK or OK To All. If you specified that the noise level or peak intensities of added spectra be checked when you created the library, these items are checked and a message appears if a spectrum fails a check. If you want to add the spectrum to the library anyway, choose OK. Selecting a quant method Use Quant Setup in the Analyze menu to select the quantitative analysis method you want to use to quantify a spectrum (see “Quantifying a spectrum” for details). The method must be calibrated using an optional OMNIC quantitative analysis software package. See the documentation that came with that software for information on calibrating quantitative analysis methods. Select a quant method 1. Choose Quant Setup from the Analyze menu. The Open Quant Method dialog box lists all the quantitative analysis methods available in the directory specified in the File options (available through Options in the Edit menu). Note If you have the QuantPad software, the Quant Setup dialog box appears when you choose Quant Setup. Choose Select Method in the dialog box to display the Open Method dialog box. ▲ 2. Locate the desired method and select it by clicking its filename. Method files have the extension .QNT. When you select a method file, the title of the quantitative analysis method appears in the Quant Method Title box. The quantitative analysis software that was used to create the method is identified in the Origin box. Make a note of this information. It will be useful if you need to find documentation to help you interpret analysis results obtained with the method. OMNIC User’s <strong>Guide</strong> 293
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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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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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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
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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 294 and 295: The kinds of information displayed
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 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
Page 316 and 317: The page number of the currently di
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
Page 344 and 345: Process options, 90 Protégé spect
Page 346 and 347: experiment, 114, 146 default direct
Page 348 and 349: detector, 127 filter for, 139 for c
Page 350 and 351: 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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