JASON 2.3

  • System management:

  • JASON can create log files. Together with the ability to generate crash reports that enhances our support tools and should help us to troubleshoot some challenging customers’ problems.

  • JASON now supports floating (concurrent) licenses

  • New NMR processing function:

  • Baseline correction using Whittaker smoother

  • Improved spline baseline correction: better default results on 1D and 2D spectra

  • Baseline correction using Bernstein polynomials

  • Improved baseline correction processing for pseudo2D data

  • Processing function to resample data with interpolation in frequency domain. Could be used to align point-by-point NMR spectra, acquired under different conditions

  • Hamming apodization

  • Extend “Tilt” function to support solid-state NMR MQMAS shearing and 2D-PASS tilt

  • Processing and layout rules: we start implementing a new feature when users can specify what happen with data opened in JASON. It’s done via a set of “rules”: a description of actions, which should be applied on the different data types. You might be familiar with a similar concept in MS Outlook when different “rules” can be applied on incoming emails, like forwarding to another email address. Currently users can specify what NMR processing can be applied on different NMR spectra depending on the experiment type, data format, nucleus, etc. Users also can create “layout rules” which determines how the item appears after loading as well as create some associated items automatically (tables, multiplet reports, etc.)

  • MAGRES 2 plugin: ability to see and export computed parameters like CSA and quadrupolar parameters as a table, ability to edit and regenerate synthetic spectra without the need for reloading the data.

  • Automatic peak classification and integration now works for negative peaks too.

  • JASON can convert a stack of 1D NMR spectra to a single pseudo-2D spectrum so advanced pseudo-2D analysis tools (for example integration and fitting) can be used. It extends noticeably the range of data available for those analysis tools.

  • 1D spectra spectra can be stacked horizontally in addition to the existing vertical stacks.

  • It’s possible now to start fitting from a chart. A “Fit Data” dialog is available in the chart’s context menu. It allows to select one of the chart series as the data for fitting.

  • Improvements in NMR formats support:

  • Improved import of integrals from the processed JEOL Delta JDF files

  • Improvements in SMILEQ plugin:

  • Further improvement for the tool to automatically map vendor-specific parameters to SMILEQ analysis parameters

  • SMILEQ reference editor has more editing and visualization functionality.

  • Functionality for a user to manually reference a 1D 1H or 13C spectrum using the solvent information. The user can manually pick a peak, JASON uses the peak position and the JASON solvent definitions file to look up the known chemical shift of the solvent.

  • Better handling of integrals and peaks when extracting traces from 2D NMR spectra

  • It’s possible to extract skyline from 2D spectrum using the “Extract traces” dialogue.

  • Only allow appropriate spectra to drag and drop on to the 2D spectrum sideview

  • Copy and paste integrals, multiplets and peaks from one spectrum to another

  • Multiple improvement for printing:

  • Gray-scale PDFs can be created using ”JASON PDF” in the Print dialogue

  • Ability to print multiple pages or even the entire canvas on one page using Print dialogue

  • Plot frame is visible in print out and print preview

  • NMR watermarks are WYSIWYG now and printed as displayed on the screen

  • GUI improvements

  • Show and manipulate NMR spectrum title on the stacked NMR plots

  • Improved Manual Zoom dialogue that looks much better now

  • Many improvements for recently introduced charts:

      • ability to edit the Chart title or Axis labels by double clicking on them;
      • highlight point in a table when selected in a chart;
      • highlight point on a chart from clicking in table;
      • show tooltip with values when hovering over the point in the chart;
      • ability to control / set axis limits on charts
      • better control for fit line properties on charts
      • ability to show/hide grid lines on charts

  • NMR watermarks are WYSIWYG now and printed as displayed on the screen

  • New “Show Array” button to the kinetic panel for DOSY and related analyses

  • Revised use of double-clicks in different NMR mouse modes.

  • Possibility to display imaginary components for pseudo-2D and stacked plot data

  • “Show first” / “Show all” buttons on Stack panel

  • Improved integral / multiplet properties dialogue for pseudo2D NMR data

  • Fixed annoying behavior when NMR spectrum could be zoomed unintentionally

  • Simplified context menu for all canvas objects. Rarely used functions moved to a dedicated “Appearance” submenu

  • Keyboard shortcut for undo (CTRL/COMMAND+U) and redo (CTRL/COMMAND+I) NMR zoom

  • Improved mouse mode handling when activating/disactivating NMR plots. We reduced a chance of accidental creation of peaks/integral/multiplets by changing to NMR spectrum on the canvas

  • Improved “Constant aspect ratio” mode of resizing canvas objects

  • When moving the item on the canvas by dragging its tag with mouse, it’s snaps to page. Press CTRL (COMMAND on Mac) to allow free placement. This should help to move and place canvas objects withing the page boundaries

  • “Reset panels” resets the JASON dockable panels to their default state. Before it was only possible together with the full “Factory Reset”

  • The canvas objects are fit to page by default when moved around the canvas. But it will appreciate existing user-defined setting

  • Use for ESC key to call “intuitive” cancel. For example, pressing ESC on a table removes all table selection

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