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Class to represent merged mass spectroscopy data.

Slots

ms1

A character indicating the name of the experiment.

ms2

A data frame containing the raw data.

all_matched

A data frame containing the scaled data.

iso_matched

A data frame containing the scaled data.

metadata

A logical indicating whether or not the data has been consolidated.

pre_iso_matched

A data frame containing the matched pairs before initial isolation

scaled_values

A vector of scaled values

adjusted_df

A data frame containing the drift corrected metabolites

cutoffs

A vector of cutoffs

aligned

A dataframe containing the final metabolite mathces

smooth_method

A list of smoothing values