What’s new in Mnova 14.1.1

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Download Mnova 14.1.1

Mnova 14.1.1 (minor release)

Features

Mnova 14.1.1 has been released with the usual bunch of useful bug fixes and with a new product, Mnova StereoFitter, that addresses problems associated with stereochemistry.

Mnova StereoFitter [New Product!]

  • You can read information about this new product here
  • NMR Assignments
    • Fixed a crash in manual assignment mode when multiplets are highlighted and other actions are carried out around the different pages
    • Assigning a point to an atom in a 1D spectrum is now easier
    • Fixed a crash with the ‘Show the suggested assignments’ option enabled while carrying out manual assignments
    • Fixed a crash when unlinking HMBC correlations from the Assignments table and then using the “deduction”
    • HMBC correlations of quaternary carbons are also displayed in the carbon row (Assignment report)
    • Multiplets are correctly generated in assignments deductions
    • Easier graphical assignments to a selected position near other 1D/2D multiplets
    • Able to enter more than one RDC value for one atom in the Assignments table
    Chemometrics
    • Correct amplitude ratio values obtained from CCSD analysis
    Data Analysis
    • Shifts in time origin in Data Analysis are applied accordingly
    ElViS - Electronic & Vibrational Spectroscopies
    • Added warning message to indicate that the add/substract tool refuses to whenever all or some of the stacked spectra has any DPT processing action active
    • Stacking ElViS spectra with different spectral size/wavenumber bounds now provides the expected results
    • Improved the way Mnova ElViS opens certain IR data from Thermo instruments
    Mnova
    • Mnova’s menu bar displays correctly the Database tab and its DB scripts instead of the PageDatabase tab when Mnova DB license is not present
    • Fixed a problem when using layout template for MS datasets. In addition to the geometry, colors and plot order are now applied accordingly
    • Issues where occasional spectrum phase was inconveniently inverting after selecting multiplets and undoing (Ctrl + Z) have been resolved
    • The “Solid-State NMR” plugin has been purposely removed from the Preferences/plugins (Linux and Mac)
    • Importing the Advanced plug-in directory path issues from *.INI files have been solved
    • We have also added a new feature in Mnova to provide License protection for SQL Database
    Molecules
    • Issues when editing a molecule directly in the Compounds Table have been fixed
    MS
    • Able to rename a MS file without closing Mnova
    NMR
    • Zoom ranges now can be applied when applying a Layout Template in a 13C spectrum
    • Fixed a crash when loading a document from version 14.1.0 with a wrong horizontal inner trace index set out of the specifications
    • Issues after using the option "Use External 1H Trace as Reference" in the Setup Traces dialogue. The reference is applied and persist even after closing the setup dialog
    • Processing operations in a stacked spectra have been considerably sped up to the level of a single spectrum
    • ‘JC 2D spectrum’ tool has been removed from ‘Peaks > New spectrum’ menu and added to a suitable section ‘Analysis >More tools > digital JC’
    • Improved ‘Absolute reference’ tool to avoid undesirable misalignments for the 2D traces
    • Mnova remains stable after running the verification tool no matter what predictor is selected
    • ‘Auto absolute reference’ tool has been polished not to use a predicted spectrum as reference
    • Importing JCAMP-DX files shows the correct PPM/Hz scale for 1D and 2D spectra
    • The tool ‘Zoom & cuts’ can be applied now to multiple pages
    NMR Predictor
    • Prediction for Diastereotopic methyl groups has been improved. When they are very far from a stereocenter, more than 6 bonds, are predicted as equivalent
    • Fixed a crash when Autoassignment tool runs no matter which type of NMR Predictor license is active
    • When using Modgraph prediction, after adding a molecule to a prediction DB, and run a prediction with the same structure, the right value is obtained in the column "Shells"
    • Fixed a crash when updating HSQC prediction results (i.e. selecting/deselecting molecule and spectra)
    • Predictors using floating licenses are now working correctly
    • Issues when updating the prediction DB have been solved. The solvent remains as it was previously recorded when browsing a structure in the prediction DB
    • Fixed wrong 13C chemical shifts of CH and CH2 groups predicted by Mestrelab Predictor
    • Predictions improved by 1H User Prediction DB when using all predictors (Mestrelab Predictor + Modgraph NMRPredict Desktop)
    • Diasterotopic protons are predicted correctly now when using all predictors together (Mestrelab Predictor + Modgraph NMRPredict Desktop)
    • Different instances of Mnova will now write different Server logs
    NMReData
    • NMReData imports assignments correctly for both manual and auto modes
    • A file extension different from the one indicated in the data file name cannot be selected any more to avoid software crashes
    Structure Elucidation
    • Fixed a crash in Structure Elucidation when opening and closing a document

 

Download Mnova 14.1.1

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Enrique Sánchez

Scientific Content Editor at Mestrelab Research S.L. Read his profile here.

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