call_accucor1: call_accucor1 Calls Accucor Natural Isotope Correction for...

In graeberlab-ucla/MetabR: MetabR: UCLA Metabolomics QC Analysis Pipeline

call_accucor1 Calls Accucor Natural Isotope Correction for single labeled sets (e.g C13, N15, D). Converts mid_output data to format for Accucor1. install.packages("accucor")

Description

call_accucor1 Calls Accucor Natural Isotope Correction for single labeled sets (e.g C13, N15, D). Converts mid_output data to format for Accucor1. install.packages("accucor")

Usage

call_accucor1(mid_output, abbrev, Title, info)

Arguments

mid_output	"isotopologue data uncorrected.csv".
abbrev	The downloaded google sheets Abbrev_New2 sheet. Columns Abb, Neutral.Formula, and KEGG.ID are used in function.
Title	Title to use for naming the corrected file
info	Sample info sheet, commonly used when running Metabolomics data. Only the info$Condition column is used (make sure this contains factors).

Value

corr2 NIC corrected version. Not yet in the format for "MIDS corrected output"

Examples

temp<-call_accucor1(mid_output, Abbrev, Title, info)

graeberlab-ucla/MetabR documentation built on Oct. 29, 2024, 2:56 a.m.