Description Usage Arguments Details Value Author(s) Examples

Use "democracy" to determine the average m/z and RT deviations for a grouped xcmsSet, and dependency on sample or absolute m/z

1 | ```
plotQC(object, sampNames, sampColors, sampOrder, what)
``` |

`object` |
A grouped |

`sampNames` |
Override sample names (e.g. with simplified names) |

`sampColors` |
Provide a set of colors (default: monochrome ?) |

`sampOrder` |
Override the order of samples, e.g. to bring them in order of measurement to detect time drift |

`what` |
A vector of which QC plots to generate. "mzdevhist": histogram of mz deviations. Should be gaussian shaped. If it is multimodal, then some peaks seem to have a systematically higher m/z deviation "rtdevhist": histogram of RT deviations. Should be gaussian shaped. If it is multimodal, then some peaks seem to have a systematically higher RT deviation "mzdevmass": Shows whether m/z deviations are absolute m/z dependent, could indicate miscalibration "mzdevtime": Shows whether m/z deviations are RT dependent, could indicate instrument drift "mzdevsample": median mz deviation for each sample, indicates outliers "rtdevsample": median RT deviation for each sample, indicates outliers |

plotQC() is a warpper to create a set of diagnostic plots. For the m/z deviations, the median of all m/z withon one group are assumed.

List with four matrices, each of dimension features * samples: "mz": median mz deviation for each sample "mzdev": median mz deviation for each sample "rt": median RT deviation for each sample "rtdev": median RT deviation for each sample

Michael Wenk, Michael Wenk <[email protected]>

1 2 3 4 5 6 7 8 9 |

xcms documentation built on May 18, 2019, 2 a.m.

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