- Mnova Tablet
- Mnova main page
- Basic plugins
- Advanced plugins
- Download and free trial
- About us
Mnova 7.0 is a major release, with very significant new functionality and important changes to many functions in the program, designed to deliver greatly improved results.
This document will cover.
The new Spectral Database module
Improvements to the NMR plugin, including new algorithms for Peak Picking, Integration and Multiplet Analysis and greatly enhanced spectral interaction
Improvements to NMRPredict Desktop and Mnova MS modules
New powerful and more accurate algorithms for Peak Picking, Integration and Multiplet Analysis A new refactoring for the Peak Picking, Integration and Multiplet algorithms has been implemented in Mnova 7 with the objective to get more accurate, detailed analysis and to minimize the need for user interaction. Peak Picking
Example of the enhanced resolution achieved by the new Peak picking algorithm, now capable of identifying shoulders on large peaks as smaller peaks and of labelling and include them in multiplet analysis.
From here you can edit the Peak Type, use the curve color for the peak label, run a Peak Search in the DB, etc
Capability to change the color peak curves (depending on the type and flags)
Capability to change the color peak labels (or use the same curve colors)
Integration The integration algorithm in Mnova also benefits from the exploitation of GSD capabilities, with GSD generated integral values becoming the new default in Mnova.
It will be possible to apply the same integral normalization to all the spectra (in the current document) or to all the traces of a stack plot by selecting the applicable option, as you can see below. This is very useful if you need for example to determine relaxation times from a series of 1D spectra, to be able to compare the integral values between the different traces.
Multiplet AnalysisOnce again, Multiplet Analysis benefit directly from the exploitation of GSD capabilities to carry out the automatic analysis, with the enhanced peak picking capabilities resulting in much more reliable automatic multiplicity identification and labeling.
You will be allowed to select the minimum area and what kind of peaks (Compound, Solvent, artifacts, etc) will be taken into account for the multiplet analysis.
Improvements in the Assignment feature The assignment features in Mnova have been greatly enhanced with the objective to very significantly improve the workflow of the chemist when assigning multiple spectra sets.
Assignments are displayed directly on the chemical shift position
Improvements in the Data Analysis module
Right clicking on the Data Analysis Graphic, will allow you to update the graph after having made changes in the Stacked Spectra Table or directly on the stacked spectra (very useful, for example if you invert the order of the spectra):
Improvements in the scripting engine
(Line Fitting, Multipoint Baseline Correction, set 1D spectra as external traces of a 2D, change the color of the atom, cut without reprocessing the spectra, Help button in the scripts editor, Number of Nuclides computation, interrupt a script, Improvements Report Assignments, Access to more graphical objects) Enhancements in the spectral alignmentWe have improved the traditional cross-correlation algorithm by working on the first derivative domain calculated using an improved Savtizky-Golay routine in which the order of the smoothing polynomial is automatically calculated. The idea is to minimize potential problems caused by baseline distortions or very broad peaks. We have found this method to be very useful not only in the context of metabonomics, but also in the alignment of Reaction Monitoring data sets.
Generalized Indirect Covariance NMR (GIC)
New method to apply indirect CoNMR for the reconstruction of non-symmetric spectra from pair s of 2D spectra that have a frequency dimension in common (i.e. COSY and HSQC). Other features
This option will be used to copy the zoom and cuttings from one spectrum to another (or others).
We have added a new plugin to the Mnova environment, for the storage, indexing, management and searching of NMR and LC/GC/MS data, as well as of molecular structures and all related information. Some of the main features and capabilities of this Spectral DB are:
Please note that this plugin has a server-client architecture, so you will need to install the server and you will need to add a license to the client to be able to use the functionality.Find out more about Mnova DB.