Top 14 highlights in Mnova 14.2

0

Mnova 14.2 has just been launched as an intermediate release version with a high number of new features for most of our products and the usual bunch of bug fixes, as well as some plugin updates. You can check them all out on our changelog page. Here, we would like to highlight what we consider as the top ones for our customers.

Download Mnova 14.2

 

You can read below a brief description of the top 14 highlights for Mnova 14.2 that we have selected in no particular order:

 

1.  Superimpose chromatograms   -  Mnova MS

One of the top features is definitely the ability to superimpose chromatograms with Mnova MS.

Once you add several EIC chromatograms from different m/z values, TIC+EICs can be superimposed by selecting all the plots (while keeping pressed Shift+Alt keys) and pressing ‘Superimpose Chromatograms’ button in the Mass Tools menu.

 

2.  Assign structures to peaks in TIC and other traces  -   Mnova MS

If you are an Mnova MS user you can make assignments between a whole structure and a chromatogram peak using the 'Assign' tool. This is also available via the context menu of a mass assignment label.

There is also a tool to delete assignments by selecting them graphically and a Mass Assignments table.

 

3.  Select stacked items graphically   -   Mnova General

We have tried to make the selection of individual spectra when working with stacked NMR spectra more intuitive and user friendly.

  • All stacked items are now selected by default and a gray shade is drawn when they are unselected.
  • You can toggle the item selection by clicking in the category axis labels when the axis is visible.
  • A new mouse mode was implemented to select the items graphically (It  works on 'Stacked' and 'Horizontally Stacked' display modes)
    1. Pressing and holding Shift it appends to the current selection
    2. Pressing and holding Ctrl it subtracts from the current selection
    3. And without any of those keys pressed, it sets the current selection

 

4. Keyboard molecule editor mode   -   Mnova 'Molecules' tool

We have implemented the capability of drawing structures using keyboard shortcuts.

You can use the 'Keyboard Molecule Editor' to see the list of drawing shortcuts. If you also want to activate  this feature with your keyboard you can use shortcut 'Ctrl + E'

 

5. Import more IR file formats   -   Mnova ElViS

We have increased the number of spectra file formats you can import, save and process with Mnova ElViS (Electronic and Vibrational Spectroscopies). Hopefully this will provide enhanced flexibility for those using spectrometers from many different vendors.

  • .spa files from Thermo
  • .sp files from Perkin Elmer
  • .spc files encoded by B&W Tek

 

6. Fragmentation tool in Molecules Ribbon   -   Mnova 'Molecules' tool / Mnova MS

We have implemented a useful ‘Fragmentation tool’ under the ‘Molecules’ ribbon with two simple options:

  • Add separator
  • Remove separator

 

7. Import Shimadzu GC/MS files   -   Mnova MS

You can now import, save and process with Mnova MS any Shimadzu GC/MS files

 

8. Import Q-One NMR file format  -  Mnova NMR

We are happy to be able to load, process and save 1D q.one files in Mnova using both zip or fid files

 

9. Handle splitting carbon signals (C-F, C-P, etc.)  -  Mnova Structure Elucidation

If you are a Mnova Structure Elucidation user, you can now select all peaks corresponding to a particular Carbon atom and use it in a single multiplet. The chemical shift of the Carbon atom corresponds to the shift of the multiplet.

 

10. Record scripting operations   -   Audit Trail

Mnova Audit Trail tool can now record scripts operations shown under the ‘Audit Trail’ feature.

Audit Trail filtering options can be used to ease any particular search but all operatiosn are shown as default

 

Mnova plugin updates and a new Mnova Gears brick!

 

11. Mnova BIOHOS 2.0 - New version

The initial Mnova BioHOS software release in 2019 has been followed up with an expanded version including the following main features and many more within the chemometrics area.

  • 1D PROFILE analysis
  • PCA models and distance calculation
  • Matrix evaluations of all spectra

You can read more and watch some videos with the latest features in the Mnova BioHOS page

 

12. Mnova StereoFitter 1.1 - New version

This second version of Mnova StereoFitter has brought several improvements in the performance of 3D conformational and configurational analysis using experimental constraints from NMR spectra

  • ‘Histogram Results’ has a new way to visualize the configurational analysis results and they can be saved as a picture file to disk, and/or copied to the clipboard
  • You can constrain the calculation to a defined maximum number of conformers per solution, or choose ‘Automatic’
  • A progress bar is displayed in the popup window while StereoFitter is calculating the best fit

You can read more and use the latest manual for this version in the Mnova StereoFitter page.

 

13. Mnova qNMR 3.0 - New version

These are the main features implemented in the latest version of Mnova qNMR:

  • Purity tool save results in the actual Mnova document
  • Resume a Purity analysis, starting with a pre-analyzed Mnova file
  • New reporting features
  • Integration between Purity and Mgears Purity
  • New interface design with Dialogs as native Mnova windows
  • Any errors in automation are reported in the document with hints on how to solve them

You can read more in the Mnova qNMR page.

14. Mnova Gears 2.1 - New version  

  • The new 'MyGears Manager' gives infinite automated workflows with a just one click in the Mnova interface
  • Improved Viewer with better handling of empty experiments
  • New function to use any ad-hoc search engine in the input
  • Improved the design of the bricks
  • More features for notification by email

Find out more information in Mnova Gears page

Mnova Gears latest version also brings a new brick called QC Profiling.

QC Profiling

Automated LC-MS Quantitation of DNA Labeling Reactions

 

 

 

QC Profiling is a new brick or plugin of Mnova Gears. It has been designed as an automated solution for the quality control of reactions used to generate DNA Encoded Libraries for drug discovery.

Read more about this new Gears plugin in Mnova Gears QC Profiling page

 

Download Mnova 14.2

You can review over hundred other new features and bug fixes for all products and analysis tpes in our Changelog section.

 

Share.

About Author

Enrique Sánchez

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

Leave A Reply