NMR Spectra into Documents
PDF version of this page is available from the Handouts site)
obtaining quality data on the spectrometer and printing a hard
copy for your records, you will still need to get those spectra
into various documents including peer reviewed papers, supplemental
information, and dissertations. The
basic process for generating the jpg, gif, or tiff files for insertaion
into documents is the same for 1- and 2-D spectra: create the postscript
file at the spectrometer or at a datastation; ftp the file to your
computer; and finally convert that file to the desired format.
This guide will help you through that process.
Figure 1. Example
of a gHMQC Spectrum acquired on a Varian INOVA 400 printed as a postscript
file with high resolution 1D spectra as the projections. The postscript file
was converted to a jpg file for presentation (low resolution for the web).
Creating the Postscript File for
- Acquire, save, and process your 1D or 2D spectrum as
usual. Click here for
Creating the Postscript File for
2-Dimensional Spectra (gCOSY, gHMQC, gHMBC, etc.):
- Each time you print a spectrum you are actually creating
a temporary postscript file that is sent to the printer. Therefore,
creating the desired file is very similar to printing. The only difference
is that the page command will include the desired filename.
- Setup the display as you would for printing.
- Type the printing commands as usual with the page
command containing the destination filename. For example, I could
type pl pscale ppf pir pltext page('filename.ps'). This
will create a file containing the exact information that would
be printed without the filename specification.
- If you are unsure
how the file will look, simply use the same print command omitting
the filename designation. This will directly print the spectrum
and will be identical to the saved postscript file.
- Repeat this process for each expansion changing
the filename every time.
Transferring the Postscript File
to your Computer:
Changing the Postscript File to
a JPEG, TIFF, or PDF File.
- In exp1, open, wft, aph the appropriate proton spectrum.
- In exp3, open, wft, aph the appropriate carbon spectrum
(only necessary for heteronuclear experiments).
- In exp2, open, transform (wft2d or wft2d, see handouts for
the specific processing protocol) 2-D experiment.
- Still in exp2, setup the 2-D display as you would for
printing a 2-D spectrum. Click here for
instructions on interacting with the 2-D color map.
- Type d2d to display a contour map which will
be identical to the printed version. Adjust the verical scale if necessary.
- Type plgcosy_ps for COSY-like spectra (e.g. gCOSY, NOESY)
or plghmqc_ps for HMQC-like spectra (e.g. gHMQC, gHMBC, gHSQC).
- Follow the on-screen instructions. When asked for the
postscript filename, be sure to include the .ps extension (i.e. type
- Repeat for desired expansions changing the filename
name each time.
- The most powerful tool for converting
the postscript file is Adobe Illustrator®. This program will allow you
to change the fonts, line thickness, add ChemDraw files, and much more.
- For a simple, yet effective, means of
converting the postscript to other formats, you can obtain a copy of
GSview for PC's or MacGSView (MacGSView
runs in the Classic mode) for Mac's. Read the respective user manuals
for their appropriate use.
Inserting your Spectrum into a MS
Word Document or Similar.
- Open the document, select a position for insertion.
- Click Insert=>Picture=>From File...
- Select the jpeg file of interest. Crop, size, and position
- Creating NMR
Images for PowerPoint Presentations.
For PowerPoint presentations, I like to have a dark background
with lighter text. This makes it easier to see in a darkened room.
Below is an image of how I would display an NMR spectrum using PowerPoint.
If this type of presentation interests you, follow the procedure below
to generate similar images.
- On a DataStation, open VNMR, load and process
- Setup the spectrum display to be exactly as you want
to present it within PowerPoint (you can do some cropping in PowerPOint,
- Make sure nothing is in front of the spectrum window
(e.g. the parameter window) as this will be captured as well. If the
spectrum window is not up front, click Flip until it is in front.
- Right click on the Desktop, choose Applications, then
- Move the Image Viewer to the side so that it does not
overlap with the Spectrum window.
- In the Image Viewer, click File, Snapshot...
- Again make sure the Viewer does not overlap the spectrum.
- Choose Snap Type as Window (a click
will capture a given window) or Region (left click
and drag will capture a desired region).
- Click on Spectrum if using Window or Left Click and
drag over desired region if using Region.
- The snapped image will now be in the Image Viewer (the
colors may be distorted due to color display limits, but clicking on
the window will give the correct colors).
- If the image is satisfactory, click File, then Save
- IMPORTANT: Choose File Format as TIFF (middle of window).
- Click in the Enter Filename: field and type the desired
filename followed by .tiff (e.g. myfile.tiff).
- Transfer to your computer following procedure described
on Data Archiving page. Alternatively, you can open the Firefox browser
and e-mail the TIFF image as an attachment.
- Follow your presentation software's procedure for
inserting the image.