• This release brings a myriad of improvements for many JASON features. 

  • You can now see projections on stacked 2D spectra, you can display diagonals for homonuclear 2D and enjoy more intelligent “linked cursors” between related spectra on the canvas.

  •  We keep improving NMR processing with new or vastly improved processing functions.

  •  Renewed measurement tools simplify spectrum measurements. We added a specialised linewidth measurement tool to help with this typical task

  • The assignment process using typical 1D and 2D NMR spectra is now even more intuitive, with enhancements to accelerate the workflow

  • A brand-new solid-state NMR simulation plugin brings the power of SIMPSON simulations to JASON. 

  • A new version of BeautifulJASON gives more tools and flexible options for Python customization and automation.

  • SMILEQ qNMR analysis has become even more powerful with complex ANOVA analysis options and other improvements that you requested. 

See what  JASON version 5.1 can do for you.

  • NMR visualization:

  • Option to show diagonal on homonuclear 2D spectra including INADEQUATE 

  • Option to show double cursor on INADEQUATE spectra, providing linked markers and synchronized zoom for linked spectra

  • Option to add projections on stacked and overlapped 2D multispectral plots 

  • Pseudo2D peak visualization, with optionally not plotting weaker peaks  

  • NMR Processing:

  • A new processing function to allow normalization of vertical intensity in 1D spectra 

  • Linear prediction split to dedicated processing function for the use of forward and backward LP, respectively. This improves automatic methods for bLP use 

  • New parameter to control use of machinephase in Group delay correction processing for JEOL data 

  • The embedded FID preview in expert mode of Apodization processing has been removed. Its functionality is provided by a new interactive mode similar to interactive baseline correction. We hope that would vastly improve user experience, speed up your work, improves stability and creates more space on the apodization processing panel 

  • Processing large 2D NUS files is much faster now on Mac

  • Shrink processing provides more sensible default parameters adjusted to actual data 

  • We slightly adjusted how we treat some data before FT: removed the addition of a single zero intensity data point when FT processing is applied to odd number of data points. This used to be enforced to keep consistent chemical shift plots, and as alternative a dedicated Rounding function was introduced and used in automatic processing when applicable.  

  • We now show the recognized experiment type at the top of the processing widget. That should help to choose the right processing for your NMR experiment 

  • NMR Analysis:

  • Automatic pseudo2D peak picking, mainly for their automatic use in DOSY and ROSY processing. We are still working on manual peak picking for arrayed data 

  • Improved solvent detection. We can handle better aliases for various solvents 

  • Fixed a unit conversion error in the estimated error of sum integral values 

  • Reworked measurement tool. Now the measurements can be kept on screen and printed outside the measurement mode and reported to a table. It also introduces a new convenient tool for linewidth measurements

  • Default position of a new arrayed table of integrals moved to below the spectra instead of occupying space on the right hand side of the plots. Fitting results table is created below the Chart item

  • Support chemical shift referencing for the chemical shift axis of DOSY or ROSY plots.

  • Multiple improvements that make the combined assignments for 1D, HSQC, COSY, HMBC spectra more intuitive: 

  • Highlight both atoms in structure for fully assigned HMBC and COSY peaks 

  • Automatically assign partner of magnetically inequivalent CH2 groups 

  • Add ability to remove assignment from one atom 

  • Assign 1H chemical shift from HMBC correlation if 13C is already assigned  

  • Assign F2 shift for COSY peaks if F1 shift already assigned. 

  • In the presence of HSQC, assign the corresponding C or H if one of them is assigned. 

  • 3D Molecular Viewer:

  • It’s now possible to place a static 3D image on the canvas or on the OS clipboard. Double-clicking on the 3D canvas image opens the interactive 3D Viewer. 

  • Explicit hydrogens are synchronized between 2D and 3D molecular views. 

  • Improvements for Parameter report and tables: 

  • Improved parameters import from JCAMP format  

  • Support $AUTHOR and $USER Parameters for JCAMP-DX Files in Parameter Reports 

  • The report can contain quantities derived from multiple original parameters using complex math and logic  

  • The parameters can be listed in the same order in the Parameters Table as they appear in the original file. This provides the option to preserve the parameter order for vendors with data formats for which this is important. 

  • Table title enhancement 

  • New plugin: solid-state NMR simulation

  • It’s possible to simulate solid-state NMR spectra within JASON using the power of the popular SIMPSON simulation program. It’s also possible to fit experimental 1D spectra using simulations. It’s easy to introduce new user-specified simulations using custom scripts.

  • New BeautifulJASON 1.1 release: 

  • Incremental improvements in stability and functionality 

  • Support of charts using BeautifulJASON 

  • New version of SMILEQ: 

  • You can do ANOVA statistical analysis as a part of the qNMR workflow. 

  • SMILEQ can now report signal-to-noise for integral ranges in the results table 

  • It’s possible to use the concentration conversion factors directly in SMILEQ calculations 

  • SMILEQ summary report shows overall average and statistics over multiple samples 

  • File format support: 

  • Support for JDA format used by JEOL Delta. Automatically loading stacked data when applicable 

  • Canvas and GUI:

  • You can simply copy/paste molecules from external programs like ChemDraw to JASON. Pasting SMILES or InChI strings is also supported! 

  • It’s possible to directly paste images or text (simple or HTML) to JASON canvas. 

  • Page numbers are shown in Print dialog 

  • We have created a dedicated icon for JASON documents, so it won’t be confused with the JASON application icon. 

  • A simplified license activation: there is no need to specify the product during the license key activation. It’s done automatically in the background. 

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