It is not that difficult, but it does require a little caution so as to avoid creating a roll in the baseline.Īutoprinting your gHMQC with Projections generated from HMQC (Easy to do, but NOT RECOMMENDED):
#WORK UP NOESY IN MESTRENOVA PDF#
Since the description of the phasing approach is rather lengthy, I leave it to the user to go through the detailed method for phasing 2-D spectra, which is available in PDF format from here. The spectrum above has a phasing issue in the F1 or indirect dimension. If, on the other hand, your spectrum looks like this one, then 2-D phasing is necessary: The processed spectrum should look similar to the one pictured below: You can input different numbers if you wish, but the second number must be greater than 1. The second number (1.2, in this case) is the relative spacing intensity (default is 2). The first number (15, in this case) is the number of contour lines (default is 4). The dpcon flag is for displaying the contours.
This displays slower than the color map, but it is same as the printout. Type d2d (macro that runs command dconi('dpcon',25,1.2) )to display an interactive contour map with 25 levels. Type setLP1 gaussian wft2da to perform automated linear prediction, gaussian multiplication, and Fourier transform.
#WORK UP NOESY IN MESTRENOVA MANUAL#
If setup is OK, phasing should be limited to typing wft(1) to transform the first increment and phasing manually (click here for manual phasing procedure). Since this is a phase-sensitive technique, phasing may be necessary.If you have more time, you can increase ni to 200 (i.e. This will display the total time required for your experiment. Non-gradient methods, however, will have larger T1 noise. You may want to consider using non-gradient methods, HSQC or HMQC, for dilute sample because they will give better S/N with the same number of scans (for these methods, you must set nt=8 or higher). If your sample is dilute, increase nt to 8 or 16. For gHMQC, if you have sufficient sample, you should use a minimum of 2 scans. You will answer the following questions: allow about 10 ppm extra on each side.Ĭhoose the number of transitions.Only choose no if you have no idea about the 13C spectrum. Since carbonyls will not give peaks in the HMQC, a narrower sweep width is advisable to improve resolution and shorten your acquisition time. Do you wish to change the 13C spectral window? y=yes or n=no.Answer the following questions: please allow for 1 ppm extra width on each side.This is our in-house macro to adjust the 1H and 13C spectral windows: Make sure that the pulsed field gradient is on by typing pfgon='nny'.This loads the gradient selected HMQC experiment with the standard parameters: Increase lock gain if the lock level is below 40%. Decrease the lock power just below saturation. A saturated signal is usually unstable or if you decrease the lock level and the lock level increases, you are saturating the lock. Make sure that the signal is not saturated. Set the lock power so that the lock level is about 50% or higher. Allow 10 minutes for temperature equilibration if you set the temperature. It is very important to have a stable temperature in order to minimize distortions due to convection. This sets the VT controller to 25 degrees Celsius. type temp=25 su (if this failed, type vttype=2 su temp and use the slider in the pop-up window to adjust temperature).Make sure the temperature is regulated:.In exp3 load your 1H FID, transform, and phase the spectrum.NOTE: The above 1D spectra can be obtained earlier and retrieved for the HMQC experiment, but we recommend, at the very least, you should acquire the proton spectrum before every gHMQC run. Acquire a standard 1H spectrum in exp2 and save it:.Note the left-most and right-most peaks.Acquire a standard 13C spectrum in exp1 and save it:.