load_longdata: Load GC-MS data

In jmpowers/bouquet: Filter and Augment Biological GC-MS Data

Load GC-MS data

Description

Loads long-format GC-MS data and standardizes the column names and match scores

Usage

load_longdata(data, sample, RT, name, area, match, maxmatch = 100)

Arguments

data	the long format data frame
sample	the string that species the sample ID
RT	the string that specifies the peak area retention time
name	the string that specifies the compound name
area	the string that specifies the integrated peak area
match	the numeric match score (dot product of unknown and database spectra)
maxmatch	numerical value that specifies the maximum value possible for the match score (usually 100 or 1000)

Value

longdata, a data frame with the standard column names and types, with match score relative to 1

Examples

data(GCMSfloral)
longdata <- load_longdata(GCMS_output, "Sample", "RT", "Name", "Area", "Match", maxmatch=100)

jmpowers/bouquet documentation built on Feb. 12, 2023, 12:11 a.m.