PRINT -  NOESY1D [TOCSY1D or HOMO1D] spectra along with 1H reference spectrum

 

Save the 1H reference spectrum in exp x.           Save the NOESY1D spectrum in exp y.

 

Open exp x (the 1H experiment) and perform phasing, integrations, etc. Expand the window to include all the pertinent 1H resonances. Be sure to record the exact spectral range in the expansion (i.e., 1.2 ppm to 3.5 ppm).

 

Next, set the vertical scale (vs), vertical position (vp) and spectral cutoff (cutoff) parameters. Start with: <vs=number> -enter-, <vp=0> -enter- (<vp=12> if you want to include integration values) and, depending on how many NOESY1D spectra are taken, the cutoff. For cutoff=X each spectrum will be truncated at +X mm from the spectrum’s vertical placement. For cutoff=X,Y the spectrum will be truncated at vp +X mm and –Y mm from the spectrum’s vertical placement. A good place to start is <cutoff=45> -enter-. When finished:

 

Type <pl pscale> -enter-.

(The 1H reference has been plotted along with the scale, but will not print yet, no <page> given.)

 

Open exp y (the NOESY1D experiment) and type <ds(1)> -enter-. The first spectrum of your NOESY1D experiment will appear, corresponding to the first peak chosen for irradiation. Phase the irradiated peak symmetrically so that it points down. All enhanced peaks will have the opposite sign, and point up. Set the spectral range to exactly that of the 1H reference spectrum.

 

Again, set the vertical scale (vs), vertical position (vp) and spectral cutoff (cutoff) parameters. Try <vs=number> -enter-, <vp=50> -enter-, and <cutoff=25,5> -enter- to start. When finished:

 

Type <pl> -enter-

(The first NOESY1D spectrum has been plotted, but will not print out yet.)

 

Display the second spectrum <ds(2)> -enter-. The spectral range should remain unchanged. Repeat the vs, vp, and cutoff commands as desired. Typically, vs and cutoff values should be kept same for each spectrum. The vs and cutoff values applied to the first NOESY1D spectrum {ds(1)} will automatically be applied to the remaining NOESY1D spectra, therefore they need not be reentered. Increase vp, however, to prevent ds(2) from plotting on top of ds(1). When finished:

Type <pl> -enter-

(The second NOESY1D spectrum has been plotted, but will not print out yet.)

 

Continue this process for each spectrum. Increase the vp value in equal increments for each spectrum so they are equally spaced. For example, one might set vp=50 for ds(1), vp=80 for ds(2), vp=110 for ds(3), etc. After manipulating the final NOESY1D spectrum:

 

Type <ppa (or pap) pl page> -enter-.

(The final NOESY1D spectrum has been plotted, and now the queued spectra will be printed together because the page command has been used.)

 

Making a good looking print out with the 1H reference spectrum and all the NOE spectra on a single sheet of paper can take some time. One should record all the printing parameters onto the first few printouts so that the best printing parameters can be quickly found.

 

(Courtesy of Daniel Holmes, Max T. Rogers NMR Facility, Michigan State University)