Published:Thursday, May 6th, 2010
This module of MestReNova is an efficient simulator for high resolution NMR spectra which can be used by following the menu ‘View/Panels/Spin Simulation’ or ‘Tools/Spin Simulation’ which will display the corresponding dialog box:
Once there, we can easily simulate a spectrum by entering the desired values. For example, imagine 3 protons (3 spins Groups) called A, [...]
Published:Thursday, May 6th, 2010
Mnova incorporates an intuitive and powerful multiplet analyzer. The user will carry out an automatic multiplet analysis by clicking on its respective icon, placed on the analysis toolbar menu , or by following the menu ‘Analysis/Multiplets Analysis/Automatic’.
Bear in mind that when you select an automatic multiplet analysis, Mnova will also apply in the background an [...]
Published:Thursday, May 6th, 2010
It is very easy to measure coupling constants with Mnova, just by using the Crosshair feature .
These two orthogonal lines forming a crosshair are available on the ‘View’ menu (or by pressing the <c> key) for reporting positional information, and for help in visualizing peak alignments. This tool can also be found on the [...]
Published:Thursday, May 6th, 2010
The user will be able to change or create his own multiplet report templates; by following the menu ‘Script/Edit Script’.
From Mnova 5.3.2, it will be possible to easily add new multiplet scripts to the Mnova interface (multiplet menus for example). This enhancement in the script feature will make the handle of the scripts easier for [...]
Published:Thursday, May 6th, 2010
It is really easy to resolve overlapped multiplets. Imagine the below overlapped doublets:
where the peaks 1 and 3 correspond to one doublet and the other peaks (2 and 4) to the second doublet. First of all, divide the multiplet just by clicking on the red square of the multiplet label (to obtain two overlapped multiplets):
Next, [...]
Published:Thursday, May 6th, 2010
It is really easy to customize the multiplet boxes just by double clicking on the spectrum display and selecting Properties/Multiplets to display the ‘Multiplets Properties’ dialog box
Once there, you can choose the color, the font and the margin of the ‘Multiplet’ boxes.
It will be also possible to modify the information of the multiplet label, just [...]
Published:Thursday, May 6th, 2010
In this tutorial we shall cover some basic concepts on the analysis of a very important class of NMR experiments, the so-called Arrayed NMR spectra. The concept is very simple: an arrayed experiment is basically a set of individual spectra acquired sequentially and related to each other through the variation of one or more parameters [...]
Published:Thursday, May 6th, 2010
1H NMR is for sure the most powerful technique for structure elucidation, especially for small organic molecules. Typically, an organic chemist uses the chemical shift, coupling constants and integration information contained in an 1H-NMR spectrum to either verify or elucidate an unknown compound. Of course, it’s quite common that a simple 1H-NMR spectrum is not [...]
Published:Thursday, May 6th, 2010
This tutorial will describe an application of the GSD on the DOSY processing by using the Peak Alignment option.
It’s well known that spectral overlap is a big problem in DOSY processing but as GSD can significantly increase spectral resolution, in principle, it should be possible to run GSD against all individual PFG NMR experiments to [...]
Published:Monday, April 26th, 2010
It is now possible within Mnova to carry out atom to peak assignments, both to 1D and 2D spectra (Please note that this feature is not completely finished in this version and that it will be greatly enhanced in the oncoming release versions)
