Description Usage Arguments Value Author(s) See Also Examples

View source: R/chromatogram_manip.R

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.

1 2 3 4 5 6 7 | ```
smoothXICs(
XICs,
type = "none",
samplingTime = NULL,
kernelLen = NULL,
polyOrd = NULL
)
``` |

`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. |

A list.

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

ORCID: 0000-0003-3500-8152

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

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

1 2 3 4 5 6 7 | ```
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)
``` |

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