Avoid duplicated labels in a Simulation when editing the group labels. Small Improvements in SpinSimulation. The simulated spectra are generated by default with 64K spectral size and -2 to 14 ppm range.
New option to change the color of the spectrum based on the value of the loading value.Įnhancements in zoom cursor. The zoom cursor shows information about the position (same units as in spectrum scales). Normalization step has to be introduced into the main PCA menu. Importing J couplings from SDfiles Improvements in PCA. Ability to export the tables as CSV.
If we type "1.20(13')", we will get a message saying "the atom 13' doesn't exist in the molecule". If we want to add a coupling with the first proton of 13CH2, and the notation is cis/trans, the text should be "1.20(13cis)". In the case of CH2 with no equivalent protons: the user should type the correct proton notation in the coupling. The same for the cases in which the user writes in a C row, the coupling will be done between the carbons, by default. To add a coupling H-C, the user will have to write the atom symbol, for example, "C". Thus, when the user writes in a H row the atom number (without specify a proton), the coupling will be done between the protons. The table will give priority to the homonuclear couplings. The couplings will be added by pairs, in the same way as in the correlations columns, i.e., when the J(2-3) is created, the coupling J(3-2) is also automatically added, with the same value. If you want to add an ambiguous assignment, just type the coupling constant value and press the 'enter key' (a question mark will be added between brackets) Handling of coupling constants in the table of assignments. It will be possible to include coupling constants in the assignment table just by typing the value of the coupling followed by the atom number involved. When applying for example 100 Hz in f2 or f1, a shift is applied in f2 or f1 dimension, respectively:
Here you can find an example of the stacked sub-spectra view obtained from a 1H-NMR spectrum:Ībility to show the indirect FID after having applied a LP (e.g.) in t1. Currently you can display the processed fid before the second FT (in t1), under the option "Spectrum after 1st FT Processed".įrequency shift in f1 and f2. Frequency shift in f1 and f2 is possible by following the “Processing/Frequency Shift” menu. Int (Edited Sum) = Int (Sum)* (Sum(Ps_i)/Sum(P_i)) Data Analysis for Time-Domain studies This feature will be used for the processing and analysis of low-field, time domain data acquired in Oxford Instruments.Ĭapability to display spectra by peak type. It will be possible to display the spectra with 'All Peaks' (default view), only with 'compound peaks', only with 'solvent+impurity' peaks and also to generate a stack plot with the different views. "Ps_i" are the selected peaks (by default, including Compound peaks and excluding Hidden, C13_Sat and Rotational) "P_i" are all peaks in the integration range.