Helper Functions For Dealing With GCMS and LCMS data from IonAnalytics

calc_RI | Calculate Van Den Dool and Kratz Retention Indicies |

calc_RT | Back-calculate Retention Times |

chem_scale | Scaling Functions for Metabolomics |

get_loadings | Extract axis loadings from pls object |

get_modelinfo | Retrieve model parameters from models created by... |

get_plotdata | Extract data for plotting (O)PLS(-DA) data with ggplot2 |

get_scores | Get axis scores from models created by 'ropls::opls()'... |

get_VIP | Extract VIP scores from pls object |

parse_IA | Parse IonAnalytics CSV files |

plot_opls | Plot OPLS regression models produced by 'ropls::opls()' |

plot_pca | Plot PCA models created by 'ropls::opls()' |

plot_pls | Plot PLS regression models produced by 'ropls::opls()' |

plot_plsda | Plot PLS-DA models produced by 'ropls::opls()' |

read_IA | Read IonAnalytics CSV files |

sim_covar | Simulate co-varying variables |

sim_df | Simulate a dataset with a given number of observations and... |

sim_discr | Simulate co-varying variables with different means by group. |

sim_missing | Simulate missing values |

sim_multvar | Construct simulated multivariate data sets |

VDDK_RI | Calculate a single Van Den Dool and Kratz Retention Index |

VDDK_RT | Calculate a single retention time given a Van Den Dool and... |

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