Automatic Assignment

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Improved JASON Tables


  • Completely reworked NMR processing engine (under the bonnet) that will allows us to move to 3D and higher nD NMR later

  • New NMR processing capabilities:

  • NMR referencing function which can search a peak in the region and set it position to the specified value

  • Improved DOSY processing and recognition of the DOSY data

  • Much faster 2D autophasing in some cases

  • Users can define baseline points for the baseline correction

  • Drift correction

  • Improvements for J-spectroscopy recognition

  • Improved JASON tables:

  • Font settings for individual cells

  • Excel-style equations in the custom table columns

  • Apply filters on the table contents

  • Text alignments control

  • Better export to MS Excel, Libre/Open Calc, Google Sheets

  • Many improvements for automatic assignment:

  • Take into account molecular symmetry

  • Ability to assign a multiplet to multiple sites

  • Take into account multiplet classification

  • An option to clear the assignments

  • Automatically apply multiplet analysis if no multiplets in spectrum

  • Don’t assign improper atoms in manual assignment

  • Take into account number of H during assign 1H spectra

  • NMR spectrum simulation engine can simulate even bigger spin systems

  • Improved annotations: users can add them to desired positions

  • More manual zoom and contour level controls for NMR spectra

  • Improved Plugin Manager and the process of updating plugins

  • Customizable axis labels for NMR Plots

  • “Square” cursor can be used to start COSY-like assignment from the diagonal peaks. configurable cursor information for 2D spectra

  • Multiplet label are colour-coded according to classification

  • Improved control of the pseudo-2D NMR visualisation via new “Stack” panel

  • Improved import of major NMR data formats

  • Improvements for the canvas items: more reliable rotation, reposition rotation handler.

  • Ability to run a single instances of JASON using command line

  • Improved offline license activation

  • Notifications about updated JASON versions

  • Improved MAGRES file filter: can work with QuantumEspresso-generated files, better import of the crystal structures, transfer assignment information

  • Various GUI improvements: redesigned panels, more and better tooltips

  • Performance tuning and numerous bug fixes

We also performance-tuned our software and fixed a few bugs.

New Version JASON 2.1