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Mestrelab Research Mnova 14.0

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Mestrelab Research Mnova 14.0
Mestrelab Research Mnova 14.0 | 378.9 mb

The Mestrelab Research S.L. team is pleased to announce the availability of Mnova 14.0.0, is a major release incorporating many new features in most plugins: NMR, MS, NMRPredict, Screen, DB, Structure Elucidation, etc.

"Mestrelab Research Mnova 14.0"

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We have integrated a new module for Electronic and Vibrational Spectroscopies (ElViS) and we have fixed several bugs.
Mnova ElViS, our plugin for Electronic and Vibrational Spectroscopies, has been designed to process and analyze various forms of optical spectroscopy data, including UV/Vis, NIR/MIR, Raman, Fluorescence and others.
The new Mnova Screen version implements improvements such as redesigned interfaces for data input and results editor, easier to import/export results, improved algorithms for hit and specificity detection, as well as reading references from Mnova DB and Bruker FBS, among others. This new version also has advanced support for Bruker's FBS (Fragment Based Screening).
Mnova 14 includes two brand new features to help customers in regulated markets (i.e. CFR21 Part 11, GxP): DIgital signatures & Audit Trail.
Audit trail tracks and reports any processing operation carried out on your Mnova document. Mestrelab also offers compliance services to help customers carry out their validation and is happy to be audited on behalf of customers.
A new Ensemble NMR Prediction that uses several prediction algorithms (e.g. Machine Learning, Increments, HOSE-code, etc) aimed at improving both the accuracy and precision of 1H and 13C NMR Predictions.
Since version 14, 2D assignments can be made to 2D multiplets and selected multiplets are highlighted by hovering over the spectrum. We have implemented "unified" assignments where a chemical shift is calculated from multiplets corresponding to different experiments.
A new algorithm for the resolution enhancement of 2D NMR spectra.
Mnova 14 comes with a powerful new feature to customize how data is imported, such as selecting raw or processed data.
Mnova 14 allows to stack spectra horizontally, in addition to the vertical stacked plots.
This tool, typically used in liquid NMR spectra of small molecules, suggests the most sensible processing options for most 1D and 2D NMR spectra. 'Auto-reference' option based on the solvent peak is available too.
Export NMR information following the new NMReData standard format. Export information such as assignments, couplings and spectra description to a zip file containing an SDF file with added tags and the raw data.
A new algorithm for the efficient VOI compression of NMR spectra, which improves performance in Principal Component Analysis (PCA), has been implemented based on this paper: Compression of multidimensional NMR spectra allows a faster and more accurate analysis of complex samples.
- Labels can be added to mass spectrum peaks and annotation objects have been improved in MS plots (manually or by a script).
- Relative masses can be displayed as peak labels, instead of absolute values.
- Deconvolute the spectra, setting the desired abundance threshold, the charge state range, the m/z ratio and deconvoluted mass range.
- Predict the mass spectra and find the predicted fragments on your own experimental spectra, starting from the Molecular Formula and setting the expected adducts.
Mnova DB can now handle Electronic and Vibrational Spectroscopies data (Mnova ElViS) and search by curve/profile similarity. Furthermore, we have implemented a new peak search interface that allows you to filter by peak types and flags.
Mnova is the natural evolution of our very popular application MestReC. However, it is more than a new version of MestReC. Whilst including all the NMR processing and analysis functionality present in MestReC, it is a completely new development and a completely new concept which will open up a whole new range of possibilities when storing and sharing data within organizations, changing the way in which scientists process and report NMR and LC/GC/MS data. Mnova has been designed to make NMR and LC/GC/MS both more convenient and more powerful, and to give the user improved results with minimum effort.
The program provides a variety of conversion facilities for most NMR and LC/GC/MS spectrometer and chromatogram formats and includes all the conventional processing, displaying, and plotting capabilities of an NMR program, as well as more advanced processing techniques with a very user friendly graphical interface.
Mestrelab Research S.L. is a leading software developer, based in Spain and founded in 2004 as a spin-off of the University of Santiago de Compostela. The company's mission is to develop software solutions which become the universal processing and analysis interface between analytical instrumentation and chemists.
Mestrelab Research Mnova
14.0.0 build 23239
x86

english
PC
Windows 7even or newer
378.9 mb
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Category: Applications


Tags: Mestrelab, Research, Mnova

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