wLOGSY automated analysis is now supported 

Binding and competition responses in the analysis settings dialog, compound results table, analysis tables, and cocktail summary widget are displayed as percentages

Improved Undo/Redo behaviour 

Binning/bucketing analysis is implemented with a fixed, user-selected bin size

Bin values are reported in a new binning table, saved to .jjh5 files (can be accessed from Python scripts), and optionally can be added as labels to the NMR plot

When the plugin is installed, controls are added to the analysis and view panels, along with entries in the settings dialog

We switch our engine to Google CeresSolver library. Multiple parts of JASON have been updated, including Fitting dialog functionality, 1D peak picking with refinement, SolidSpin plugin. The SolidSpin plugin parameters options have also been changed to give more flexibility and work better with CeresSolver

The context menu has a revamp with a new “Canvas” submenu to group canvas-related operations as “Insert rows or columns” to the canvas and swapping items’ positions

Axis labels for NMR, MS and EDS plots can be switched off or aligned left, right or center. It’s controlled via Settings – NMR/MS/EDS – Axis – Common tab

Global settings can be saved and loaded from a file. This way the settings can be transferred between computers. See Save/Open buttons at the bottom of the Settings dialog 

The number of decimal places for saving NMR spectra to CSV is now can be set in Settings-General-Advanced 

Clean up and multiple improvements for the “fitting results” table

The %IDENTIFIER field can be used for the multiplet report in journal formats. For assigned molecules, the identifier shows the assigned atom number, otherwise it shows a multiplet identifier (default identifiers: A, B, …)

An empty, fully custom table can be created using New-Custom Table. It’s handy to add your own tabulated data to the Canvas. For example, if you want to keep your analysis in JASON, without switching to another software. Please note that, spreadsheet-style equations, charts and fitting can all be used with the custom table!

Integrals and multiplets can be adjusted (for example, their ranges changed) in the manual integrals/multiplets mode

NMR-Plot-Common-Advanced Features now have an option to “Autoscale Y-intensity on other spectra”. If checked, the linked zoom will cause the linked 1D spectra to autoscale vertically

Peak picking mode for 2D (positive/negative/both/auto) can be set separately from the 1D peak picking mode in Settings-NMR-Peaks-Advanced

Spectrum simulation: up to 50 spins can be specified in Simulation dialog. It could be slow if the spin system contains coupled subsystems bigger than 11 spins. Stay tuned for further improvements in future versions! 

Spectrum normalization in stack plots now scales the visible region only

Peak position labels can be hidden

Support for QOneTec SpinStudioJ format 

Extended arrayed data format support for JEOL Delta. All original data including and up to 3D can be correctly loaded  

Added a simulation file for a 2-site system with quadrupolar coupling

Computed SNR is displayed on the spectrum 

“dsnmax” option searches for the noise region which provides the best SNR value

2D spectra can be visualised as a 3D surface plot (context menu – 3D Surface View) 

3D spectra can be viewed as a “3D cube” plot. (context menu – 3D Cube View) 

The dialogs have tools to customize the view, add screenshots to canvas, etc. 

Several methods are implemented for the Solvent filter processing step that set the region automatically

Improved the interpretation of JEOL Delta sinebell parameters 

Extended arrayed data format support for JEOL Delta. All original data including and up to 3D can be correctly loaded 

OK, Reset and Cancel buttons on phase correction dialog

Individual phases can be applied to traces of pseudo-2D datasets. Unclick “Global” box in Phase Processing widget and click “Edit” to set individual phases per trace

For 2D interactive phasing: the traces on projections can be scaled up/down and moved up/down using mouse wheel and mouse wheel + SHIFT, respectively