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Putting the Spectrum into Bins (Data Reduction)

Some statistical packages prefer dealing with a slightly more condensed version of the spectrum. What they need are the integrals calculated (over the whole spectrum or the central part of it) at fixed, regular and tiny intervals. The resulting binned spectrum is visualized as a normal one and resembles it. They can both be exported in tabular form (as ASCII files) with the command File > Export.

How to Bin a Spectrum

Process the spectrum as usual and reference it against TMS or another signal.

Choose Process > Make Bins. For each frequency axis (if the spectrum has more than 1 dimension) specify:

The lowest frequency, in ppm, of the region of interest.

The highest frequency.

The size of each bin, in ppm.

Normally you set the last parameter (edge corr.) to zero, which means it's not used.

This parameter performs an additional baseline correction. Considering that you have already corrected the baseline with the more refined functions of iNMR, and that you can probably do an equivalent correction with a statistical package, this additional treatment should rarely be necessary. In practice, if you specify a value n for edge corr., iNMR calculates the average value of the first n and the last n bins and subtracts it from all the bins.

After binning, some commands are disabled to keep the integrity of data. For example, it is not possible to change the scale reference.

Related Topics

Batch Processing

Putting Many Spectra into the Same Table