Expanded functionality for 3D spectra and beyond
Additional statistical parameters in the Fit dialog
New plugin: AffinityScreen for 1D fragment-based ligand screening
Further improvements for NMR assignment
Independent dark/light mode settings for JASON
Accelerated qNMR analysis with SMILEQ
See how JASON version 5.3 can help you.
Analysis and statistical tools:
Additional statistical parameters in the Fit dialog. The results of fitting now include the correlation coefficient R2 and root mean standard error (RMSE) of the fit.
We’ve added to our peak fitting routines, introducing a fitting routine which fits heavily overlapped peaks more accurately, if you can be patient. Try this new, highly accurate routine by using the settings parameter “Max. peaks for fine refinement”. The familiar fast fitting routine for peaks in complex 1D NMR spectra, that has been in use since the early days of JASON, remains available.
3D and beyond:
Transpose processing now allows any two dimensions of a 3D spectrum to be transposed.
Sum traces processing function is now available for 3D spectra.
New plugin: AffinityScreen
Introducing AffinityScreen, a plugin for 1D fragment-based ligand screening (FBLS)
After extensive development we are excited to launch AffinityScreen for beta testing. It simplifies complex 1D analysis and provides unmatched flexibility.
Our development process is driven by your feedback, so we are first opening the plugin for beta-testing with real-world workflows. If you want to join the A-team of beta-testers, please get in touch!
Commercial release coming soon!
User experience and GUI enhancements:
Do you prefer a different theme (dark or light) in JASON than the OS settings dictates? Now you can set the JASON theme separately.
We have reworked our Print dialog to make it faster and easier to use. Are you often printing only part of your canvas? Now selecting those items and using a new keyboard shortcut, Ctrl+Shift+P (cmd+shift+P on macOS) will make it much faster.
File Browser now shows titles of NMR spectra in addition to the file name, for the most common NMR data formats.
Files and folders in File Browser are now displayed in natural order, helping you keep track of files/folders that include numbers. For example, the File Browser will display “1, 2, 11, 12, 13” instead of the alphabetic order of “1, 11, 12, 13, 2”.
We have further improved on the copying of JASON objects (spectra, molecules, tables…) to/from external applications, like MS Office.
NMR Assignment:
Improved display of NMR correlations on chemical structures.
SMILEQ and qNMR:
For our users who work with quantitative NMR data, we’ve further accelerated SMILEQ, our qNMR plugin.
Automation:
JASON can run faster in headless mode using an “offscreen” graphics engine.
