Unique Molecular Formula Assignment

Source: R/unique_mf_assignment.R

Takes an object of class 'CoreMSData' and assigns unique molecular formulas to each peak within each sample

unique_mf_assignment(cmsObj, method)

Arguments

cmsObj

CoreMSData object, output of functions read_CoreMS_data and as.CoreMSData

method

Must be either "confidence", "peak_intensity", or "prevalence". Selects formula corresponding to highest confidence score, peak height, or prevalence across samples, respectively.

Value

CoreMSData object

Author

Natalie Winans