lw: Calculating full width at half max
In kimsche/MetaboMate: All you need for NMR-based metabolic profiling with R!

Description Usage Arguments Value Author(s) See Also

Calculating full width at half maximum (FWHM, aka line width). This function simply returns the ppm difference where peak line crosses half of the peak height. It requires one signal across all spectra within ppm ranges specified in shift.

1	lw(X, ppm, shift = c(-0.01, 0.01))

`X`	NMR matrix with rows representing spectra.
`ppm`	ppm vector with its length equals to `nrow(X)`.
`shift`	Signal shift to calculate line width

Array of line widths in ppm. To convert from ppm to Hertz (Hz), multiply values with the spectrometer frequency (column a_SF01 in meta data frame).

Torben Kimhofer tkimhofer@gmail.com

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kimsche/MetaboMate documentation built on Aug. 8, 2020, 1:14 a.m.