What’s new in Mnova 14.0.1

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Download Mnova 14.0.1

Mnova 14.0.1 (minor release)

Features

Here is what our team has been working on since our latest major release. Remember to download Mnova 14.0.1 to use the following interesting new features and improvements!

Mnova

  • Completed Mnova’s User Interface Spanish version

MS

  • Implemented Peak search to 3rd party NIST MS databases
  • Improved elemental composition color display of calculated mass peaks

NMR

  • Estimated molecular weights are displayed on DOSY plots

NMR Prediction

  • Ensemble Prediction: Improvements in the way the different NMR Predictors are combined together

 

  • NMR Assignments
    • Removing an assigned multiplet removes the relevant correlations too
    • 2D multiplet labels are now updated after changing the assigned atom name
    • Assigned multiplet name gets updated after modifying the atom label
    • Modifying an assignment shift from Assignments table updates properly the assignment shift on the spectra
    • Deductions are obtained correctly when making the first manual assignment
    • NMR chemical shift assignments are now displayed as shifts and not as ranges
    • Assigned multiplet name are updated after modifying diastereotopic atom labels
    Audit trail
    • Improved Autophase report in the audit trail
    Data Analysis

    • Data analysis graphs updated with spectral changes
    • Local Phase Correction option is now applied when selecting a region for a data analysis graph

    DB
    • Errors coming from ‘spectrum query’ searches are now fixed
    ElViS
    • The properties widget in a Mnova ElViS layout template works now properly
    Mnova
    Mnova
    • Properties dialog is now fully displayed (Mac)
    • Processing NMR on RHEL 7 also works when applying baseline correction or adjusting the phase
    • “Split Document” script dialog is now correctly displayed (Mac)
    • Issues when applying ‘Layout templates’ in Mnova 14.0 have been corrected
    • Loading a file and accept change to another interface is now clear of errors

    Molecules

    • Only PhysChem properties with a certain value are added when saving molecules as SDFiles
    • Problems with deleting atoms resolved

    MS
    • The elemental composition results ‘Highlight’ tool is now functioning correctly
    • The TIC/FID/other traces Mass Peaks Table order has changed. Ascending RT order is set as default
    • The size of the different Mass Spectrum properties tabs is now consistent
    • Mol Match settings are now loaded correctly when switching documents from different Mnova versions
    • Extracted Mass spectrum displays the appropriate Da range.
    • Peak area values are not increased each time a integration range is modified
    • The Elemental Composition tool button works correctly

    NMR
    • Applying the PcBc tool on a stack of spectra works without crashing issues
    • Able to create Blind Regions in the Predefined Rule dialogue for 2D data
    • The Multiplet manager window displayed for 2D is now functional
    • Several corrections have been done for the “Auto Multiplet Analysis” tool when selecting 1D and 2D spectra at the same time
    • All spectra are now selected by default in a stack when trying to edit blind region for the first time
    • Absolute referencing for 2rr files works correctly
    • Clicking a button for a pending feature in the Multiplet Report to Spectrum script is now functional
    • Peaks are highlighted properly when opening Peaks Table and clicking on a peak
    • The problem opening Bruker UXNMR files has been solved
    • Applying the Regions method for local phase correction is now functional
    • Editing Blind regions works correctly
    • Attached 1D on F1 dimension displayed in low resolution
    • “Auto Peak Picking” tool runs with no issues
    • Graphical Reference tools works fine after applying Reference by Solvent
    • Vertical zoom values are read correctly for 1D spectra also with very high intensity values
    • The automatic highlighting feature within the multiplet analysis mode has been improved
    • Crash when changing document with the Blind Regions table open
    • Horizontal traces can be updated correctly
    • Extracted horizontal trace does not disappear after applying other operations
    • 3J(HH) prediction has been considerably improved

    NMR Predictor
    • Issues found when trying to use NMRPredict Desktop have been solved
    Reaction Monitoring
    • Reaction Monitoring Wizard runs now correctly
    Screen
    • Issues found when the data processing stops and no peaks are found in wLogsy have been solved
    Mixtures Analysis (SMA)
    • The Peak Picking tool works fine for the whole spectra even when displaying a small region of the spectra

 

Download Mnova 14.0.1

You can also find out more about the latest features here

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Enrique Sánchez

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

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