We have started working on adding mass-spectrometry data to JASON along with NMR.

Users of JEOL MALDI-TOFMS (S3000) spectrometers can load now their data to JASON

  • JASON can load and visualize data from the JEOL JMS-S3000 SpiralTOF instrument. This is the first small step toward supporting mass-spectrometry data in JASON.

  • In the near future we will keep extending our support for analytical chemistry data beyond NMR.

With this release we have redesigned how tables look and behave on the canvas, utilizing further our unique open canvas concept and improving the look&feel on the screen and in printed reports. See detailed descriptions below.

  • A new “Combined NMR Data Table” contains NMR assignment information from all spectra in the document, providing a more intuitive assignment process.

  • Other improvements include the ability to plot residuals from fitting data series in charts; creating a single “Results” table that summarizes the fitting results; significantly enhanced support for arrayed experiments with more arrayed parameters correctly recognized; making it clearer if peak picking results for a given peak have been user-edited by marking these with an asterisk; and, of course, squashing a number of bugs.

  • Better pseudo-2D (relaxation, DOSY, etc.) analysis and data fitting:

  • Charts have more marker shapes to choose from

  • Residuals can now be plotted when fitting data.

  • ROSY processing. Similar workflow as DOSY, supporting analysis of T1, inversion recovery experiments

  • A new “Results” table for fitting, summarizing and reporting the fitting equation used and parameters returned

  • More choices for the spectrum stack colors – it’s possible to apply color gradient or use the same color for all spectra in the stack

  • Improvements for tables and new table types:

  • The JASON tables are enhanced: it’s easy and more straightforward to handle their geometry on the canvas and they support multi-line cells

  • “Combined NMR Data” table with all assignments from the document.

  • The Multiplet/Integral table can now be filtered by multiplet type

  • Better interactive control and visualization for NMR peaks, integrals and multiplets:

  • Interactive control over the integral baseline
  • Reworked Multiplets/Integral dialog which is more interactive and faster.
  • User edited peaks are denoted with “*”. improving identification and traceability of peak deconvolution parameters which have been manually adjusted
  • Copy/paste integrals to a multiple spectra.

  • Enhanced peak picking algorithms with expanded options and better user control of the settings.

  • GUI and visualization improvements:
  • SVG (scalable vector graphics) output is improved. Users can choose the level of details of the generated SVG output.
  • Automatic cuts can now be normalized in intensity, improving appearance

  • Better support of NMR vendor file formats:

  • All kinds of arrayed experiments (e.g. pulse width calibrations) can be visualized correctly from JEOL Delta format

  • A free plugin to read Cryogenic/TNMR data formats

  • SMILEQ plugin: further improvements

  • When performing external standard analyses, it is now possible to generate a reference only summary report.

  • Analyses run through SMILEQ Seamless are now included in JASON’s logging feature.

  • Information on solvent corrections can now be stored in the analysis file when performing external standard experiments.

  • Using JASON from the command-line, now it’s possible to control which installed plugins are loaded. Now it’s easy to switch off unneeded plugins in your scripts or start JASON in safe mode

  • Rules can be edited and updated.

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