Page layout

If attractive proportional font output is not required, I recommend that you always do your reporting in SAS with simple ASCII text. It is usually cheaper to produce and more flexible with page layout than any other output destination. 

To set up the page layout for plotting spectra several tasks have to be performed. They include the definition of the plot region, of the spectrum components to be included in the plot (spectrum, integral, peak labels, axis, of the title, of the contents of the parameter table and any additional imported data to be added to the layout such as the formulae or molecular structure. To inspect the final layout prior to plotting. WIN-NMR offers the Preview option which shows an exact copy of your subsequent plot on the screen and allows you to perform final adjustments and rearrangements on the screen. 

Final processing and arranging the page layout may be performed in different ways. Using the appropriate quick-mode buttons is the easiest way, whereas the use of pulldown menus offers a wide variety of parameters which allow the various operations to be tailored to your specific needs. In addition, some of these operations may be performed in an automatic, but predefined way, which is ideal if a series of spectra are to be processed and plotted in the same way (see section 5.5). 

Plotting NMR spectra is never a job of secondary importance. To obtain the best results a few rules should be followed when preparing the page layout. Besides the spectrum itself, the layout should contain all relevant information, including the acquisition and processing parameters and a spectrum title. The acquisition and processing parameters are necessary to interpret and understand the spectrum and to allow the experiment to be repeated under the same conditions to reproduce and confirm the results. These parameters are also needed when preparing the experimental part of your thesis or a publication. The spectrum title should immediately identify the sample that has been measured and the experiment that has been performed. 

Opens the Page Layout dialog box (Fig. 4.16) discussed in section 4.7.2. 

Depending on which display mode ID, Dual Display, Multi Display) has been selected, different dialog boxes for Page Layout appear on screen ... 

Page Layout Dialog Box in Normal ID Display Mode... 

Fig. 4.16 Page Layout dialog box in normal ID display mode.

The use of the individual elements of the Page Layout dialog box is as follows ... 

Closes the Page Layout dialog box and opens the Print dialog box. As well as printing the page layout, this dialog box contains options to select and configure the output device (see section 4.7.4.)... 

Closes the Page Layout dialog box and passes the output into the Preview window for output control prior to plotting. Preview offers a variety of possibilities for further graphical processing which are discussed in section 4.7.3. 

Metafile... Closes the Page Layout dialog box and opens a Save Metafile dialog... 

Set up a plot layout similar to the example given in Fig. 4.17. Load the C spectrum of glucose D NMRDATA GLUCOSE 1D C GC 001999.1R, check its calibration and perform a peak picking. From the Output pull-down menu choose the Page Layout option and set the Left Limit and Right Limit to 100 ppm and 10 ppm, the Offset to 1 cm and MaxY to 14cm. 

Initiate the plot with the Print... button in the Page Layout dialog box or from... 

Now load the first DEPT spectrum. Using the third DEPT spectrum as the calibration file perform a peak picking. In the Page Layout dialog box check the X- and y- File Compare boxes and click on the File Compare... button to select the already plotted third DEPT spectrum as the calibration file. Click on the Edit Title... button to create an appropriate title. Click on the Preview button, accept clearing the Preview window and inspect the layout, which should now be the same as for the third DEPT spectrum. Plot the spectrum. 

The plot is not totally defined by the options available in the Page Layout (Dual/Multi... 

Fig. 4,18 Page Layout dialog box available with dual and multiple displays.

Adjust the vertical scale and the vertical offset for the main trace spectrum to obtain the best display of the signals for the ring protons. Click on the File Param. button and set the plot limits to 6.0 ppm and 3.5 ppm. Click on both the F1/F2 for all and the Y for all buttons to transfer the plotting information from the reference spectrum to the other six spectra. Click on the OK button to close the dialog box. Do not click on the Return button as this will lose all the Separate Plot plotting parameters that have just been set. From the Output pull-down menu choose the Page Layout option and select the same parameters, options, colors, fonts and the printer setup as used in the multiple display above. Use the Preview option for a final inspection before plotting this Separate Plot layout. 

Button Panel - A series of buttons in the button panel allow you to open additional frames, to zoom or delete frames, to add and edit text files, lines or rectangles, to switch to the Page Layout dialog box and to initialize printing. 

Additional functions available within the Output pull-down menu, or accessible from within the Page Layout or the Preview dialog boxes by clicking the appropriate buttons are as follows ... 

Note that for plotting 2D spectra up to 14 contour levels may be used. They can be defined with the Page Layout option in the Output pull-down menu (see 4.10.2). 

In general, the page layout consists of these three individual windows, the Text window for the title, the Trace window for the 2D matrix, with space left for projections, and the Parameter window. 

O Gorman, L., and R. Kasturi. 1993. The document spectrum for page layout analysis. IEEE Trans. Pattern Anal. Mach. Intell. 15(11) 1162—1173. 

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