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  Working with Axes and Scales

The command ‘Format/Axes & Scales’ brings you into a 5 panes dialog. This page describes them one by one.

Referencing the Frequency Scale (slow method)

You normally reference a spectrum against a peak. You select a peak (better: a position) by putting a mark on the spectrum before opening the dialog. In the dialog you write the correct frequency value for the mark. In case the mark is on the main peak of a solvent (meaning: the residual non deuterated part of an NMR solvent) you can conveniently choose a value from the solvents menu. Only 1H and 13C shifts are listed. The list of solvent shifts is stored in the iNMR bundle, in the file solvents.txt. You can edit it, in case of need. Refer to the Mac documentation to learn how to open an application bundle. You can also copy frequency information from one window to another. Open the dialog from the importing window and select the exporting window from the bottom menu. Confirm changes when closing.

Referencing the Frequency Scale (fast method)

Ctrl-click the reference peak. Select “Reference Scale” from the contextual menu.

 

doing it automatically

The command “Process Folder” contains an option to automatically retrieve the TMS signal and reference the spectrum against it.

Scale Manipulation

Most controls in the second pane are of trivial interpretation. The option: “same ppm/mm ratio along X and Y” is an indication, for 2D plots, that iNMR is not forced to respect. The indication is to use the same scaling factor along both axes. The left margin of the plot cannot be dragged when this option is selected.

info

The third pane is not interactive.

Limits

You can specify numerically the limits of the plot. You cannot specify, however, cuts. In time domain the spectrum is always displayed from start to finish.

 

Transposition

Starting with the introduction of the PowerPC in the mid-90s, processors have manifested a marked preference towards rows. Any kind of processing, with the exception of phase correction, if performed along a column, is slower. Just for the sake of higher speed, iNMR performs transposition without asking your permission. It happens in two cases: FT and baseplane correction. You too can perform transposition, in frequency domain, at your will. The controls are so intuitive that no explanation is necessary. Transposition is performed in RAM, and spectra are also kept in RAM (iNMR keeps in RAM everything always). The amount of free RAM you need is easy to calculate: that needed by the spectrum times two.

Shortcut to transpose outside of the dialog: press an uppercase T.

See also

Interpolator

Peak-Picking

Symmetrization

Keyboard: what you can do with it