Multiplets analysis

(Not available in Mnova Lite)

You will find the quinine datasets under the 'File/Help/Download Example datasets' menu

Mnova incorporates a powerful multiplet analyzer. The user will carry out an automatic multiplet analysis by clicking on its respective icon, placed on the analysis toolbar .

The user can also apply a manual integration followed by an automatic multiplet analysis (to obtain the same ranges in both cases), but please bear in mind that integrals and multiplets are two independent lists, so you will be able to have different ranges in both. In that case where the multiplets are made from integrals, MNova visualizes only multiplet integrals.

In the picture below, you will see the result of having applied an automatic multiplet analysis and selected 'Report Multiplets'  

Manual Multiplet Analysis

Another valid workflow would be to press the 'J' key to activate the manual multiplet analysis and click&drag on the regions that you want to analyze. You will not need to use the integration at all.

You can create non-compound multiplets (with artifact, impurity, solvent, CS Reference or Quant. Reference peaks) using the manual multiplet analysis. Please bear in mind that the automatic multiplet analysis will always return "multiplet compound" types. 

If there are no peaks, a peak picking will be done and Mnova will assign the multiplet type according to the largest peak type on the selected region:

If there are already peaks in the region, the peak with the largest area will be used as the main type, so the multiplet will have that type and it will only include the peaks belonging to that type in the region. In the example below, the biggest peak is an impurity peak, so the multiplet will only include impurity peaks (and not the smaller compound peaks):

When editing the multiplet range, all the peaks of the same type as the currently edited multiplet which are not already assigned to the multiplet, will become part of the edited multiplet. In the example below, we increased the size of the multiplet to include a compound and an impurity peak, but only the impurity was added:

When changing the multiplet type, all the peaks belonging to the multiplet will be changed to that type. In the example below, we changed the multiplet peak to compound and all the peak types were updated:

If you change all the peak types of a particular multiplet, Mnova will remove that multiplet (as there will not be peak types matching with the Multiplet type). In the example below, we had a multiplet with compounds peaks, after having changed all the peaks to impurity, the multiplet was gone:

If you want to show the integral curves of your multiplets, just check the applicable box on the ribbon (or on the Multiplets Properties)

You can export the multiplet integrals list by following the menu: 'File/Save As:/Script: Multiplet Integral' or 'Script: Multiplet Integrals Series' if you work with arrayed spectra.

You can also apply a multiplet analysis in a 2D-NMR spectrum, as you can see below: