specOverlay: Higher level plotting function to overlay NMR spectra...

Description Usage Arguments Author(s) See Also

View source: R/specOverlay.R

Description

Plotting overlayed NMR specra. This function is based on ggplot2, a high-level plotting R package. For large ppm ranges the computation time is relatively long, so the chemical shift range should be as small as possible. For list argument an, the first element describes the colour and must be defined (even if it is only a single value). If colour and line width are specified, then at least one list elements of an must have the same length as X.

Usage

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specOverlay(X, ppm, shift = c(-0.01, 0.01), an = list("facet", "col",
  "ltype"), alp = 0.7, size = 0.5, title = "", ...)

Arguments

X

Input NMR data matrix with row representing spectra.

ppm

ppm vector with its length equals to nrow(X).

shift

Chemical shift area to be plotted. This should be kept as small as possible (see Details).

an

List with one to three elements specifying facetting, colour and linetype (see Details).

alp

Alpha value for lines (number between 0 and 1 whereas 0 is fully transparent and 1 is fully opaque).

size

Line width (0.5 is a good start).

title

Plot title.

...

Additional paramters passed on to ggplot's facet function.

Author(s)

Torben Kimhofer tkimhofer@gmail.com

See Also

readBruker

facet_grid


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