Analysis, Display and Output Tools in ID WIN-NMR

The calibration of a NMR spectrum is based on the assignment of a reference signal to a known chemical shift. For heteronuclear spectra the standard frequency is based on the IH standard frequency SF and calculated according to equation [3-6]. The teaching version of NMR-SIM only support two rf channels and it is only necessary to set the parameters SF and 01 and 02. The radio frequency applied during the experiment is called SFOi where i refers to either the rf channel 1 or 2 and is defined in equation [3- 

The parameter SR is used for the manual calibration according to equation [3-10]. All the parameters are defined in Hz. 

In NMR-SIM spectrum calibration is not normally necessary, since the chemical shifts in the spin system file are already defined on the ppm scale. However occasionally it might be necessary to calibrate a spectrum, particularly if comparing a simulated spectrum with an experimentally measured spectrum. In ID WIN-NMR the calibration mode is selected by choosing the Calibrate command in the Analysis pull-down menu. The calibration can be performed in two ways  

The second method is to click the Num. Comp, button in the button panel and in the Numerical Component dialog box enter the X-Scaling (SR) value directly. The SR value depends upon the solvent and detected nucleus but once the SR value has been determined experimentally the 

Multiplet analysis is one of the most useful analytical tools in ID WIN-NMR it simplifies the measurement of coupling constants, it is the first step in disentangling overlapping multiplets of complex multi-spin systems and it provides the input parameters for the WIN-DAISY computer analysis program. It is based on the AX approximation and uses distance measurement to build up coupling patterns by recognizing lines split by a common coupling constant. 

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