imputeChromatogram: Fill missing intensities in a chromatogram

In Roestlab/DIAlign: Dynamic Programming Based Alignment of MS2 Chromatograms

Description

Fill missing intensities in a chromatogram

Usage

imputeChromatogram(
  chromatogram,
  method = "spline",
  polyOrd = 4,
  kernelLen = 9,
  splineMethod = "fmm"
)

Arguments

chromatogram	(data-frames) first column is time, second column is intensity.
method	(string) must be either "spline", "sgolay" or "linear".
polyOrd	(integer) must be less than kernelLen.
kernelLen	(integer) must be an odd integer.
splineMethod	(string) must be either "fmm" or "natural".

Value

(dataframe) has two columns:

time	(numeric)
intensity	(numeric)

Author(s)

Shubham Gupta, [e-mail]

ORCID: 0000-0003-3500-8152

License: (c) Author (2020) + GPL-3 Date: 2020-05-21

See Also

na.approx, na.spline

Examples

time <- seq(from = 3003.4, to = 3048, by = 3.4)
y <- c(0.2050595, 0.8850070, 2.2068768, 3.7212677, 5.1652605, 5.8288915, 5.5446804,
 4.5671360, 3.3213154, 1.9485889, 0.9520709, 0.3294218, 0.2009581, 0.1420923)
chrom <- data.frame(time, y)
chrom$y[c(1,8, 14)] <- NA
imputeChromatogram(chrom, "sgolay")
imputeChromatogram(chrom, "spline")
imputeChromatogram(chrom, "linear")

Roestlab/DIAlign documentation built on Feb. 25, 2021, 5:18 p.m.