getPredicitons: Get MetaClean Predictions

In MetaClean: Detection of Low-Quality Peaks in Untargeted Metabolomics Data

Description

Wrapper function for retrieving predictions from a trained MetaClean classifier and a test dataset. Returns a data frame with class predictions as well as the associated probabilities for each class prediciton.

Usage

getPredicitons(model, testData, eicColumn)

Arguments

model	The train MetaClean model object.
testData	dataframe. Rows should correspond to peaks, columns should include peak quality metrics and EIC column only.
eicColumn	name of the EIC column

Value

a dataframe with four columns: EIC, Pred_Class, Pred_Prob_Pass, Pred_Prob_Fail

Examples

# train classification algorithms
best_model <- getPredictions(model = mc_model,
                                       testData = pqm_test,
                                       eicColumn = "EICNo")

MetaClean documentation built on Jan. 13, 2021, 6:30 p.m.