We have improved the Spin Simulation module by allowing you to modify chemical shifts by using click-and-drag directly on the simulated spectrum. We have added flexibility to your importing of data from spectrometers by adding to the Preferences menu the options to import LP and spectrum size set at the spectrometer. This will allow the user to generate consistent layouts containing several 2D spectra. Capability to differentiate between HSQC and HMBC (or other 2D, such as H2BC) in layout templates. These objects are mouse sensitive making possible the graphical edition of both the chemical shift and couplings by using drag & drop. Option to show coupling constants stick trees for multiplets In addition, the user will be entitled to add further impurities to be detected: Here you can see an example containing several solvents. The first version of the algorithm will detect MeOH, EtOH, iPrOH and EtOAc in deuterated DMSO. This novel algorithm will be used to automatically detect solvents which appear as impurities in your samples. The assignment module has been greatly enhanced, ranging from new capabilities to transfer assignments from one molecule to another as well as between different spectra (1D and 2D) to new graphical features such as the ability to customize the assignment colors in the molecule and simplified workflow.ġ. Values in the X axis can now be easily and efficiently modified by using the new feature to derive t’ from t and from the i-spectrum index.Ģ. Users will now be able to select concentrations as a parameter in order to create kinetic graphs.Īuto-detection of known solvent impurities
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