smoothXICs {DIAlignR} | R Documentation

## Smooth chromatogram signals from a list

### Description

Smoothing methods are Savitzky-Golay, Boxcar, Gaussian kernel and LOESS. Savitzky-Golay smoothing is good at preserving peak-shape compared to gaussian and boxcar smoothing. However, it assumes equidistant points that fortunately is the case for DIA data. This requires a quadratic memory to store the fit and slower than other smoothing methods.

### Usage

    smoothXICs(
      XICs,
      type = "none",
      samplingTime = NULL,
      kernelLen = NULL,
      polyOrd = NULL
    )

### Arguments

`XICs` | (A list) A list of dataframe that consists of two columns. First column must be monotonically increasing.
`type` | (char) must be either sgolay, boxcar, gaussian, loess or none.
`samplingTime` | (numeric) Time difference between neighboring points.
`kernelLen` | (integer) Number of data-points to consider in the kernel.
`polyOrd` | (integer) Order of the polynomial to be fit in the kernel.

### Value

A list.

### Author(s)

Shubham Gupta, shubh.gupta@mail.utoronto.ca

ORCID: 0000-0003-3500-8152

License: (c) Author (2020) + GPL3 Date: 2020-02-21

### See Also

https://terpconnect.umd.edu/~toh/spectrum/Smoothing.html, https://rafalab.github.io/dsbook/smoothing.html

### Examples

    data("XIC_QFNNTDIVLLEDFQK_3_DIAlignR")
    XICs <- XIC_QFNNTDIVLLEDFQK_3_DIAlignR[["run0"]][["14299_QFNNTDIVLLEDFQK/3"]]
    ## Not run:
    newXICs <- smoothXICs(XICs, type = "sgolay", samplingTime = 3.42, kernelLen = 9,
     polyOrd = 3)

    ## End(Not run)

[Package DIAlignR version 1.2.0 Index]