rt2ri: Retention Time to Retention Time Index conversion

In acinostroza/TargetSearch: A package for the analysis of GC-MS metabolite profiling data

Retention Time to Retention Time Index conversion

Description

Convert retention times to retention indices based on observed FAME RI and their standard values.

Usage

rt2ri(rtTime, observed, standard)

Arguments

rtTime	The extracted RT's to convert
observed	The observed FAME RT's
standard	The standard RI for each FAME

Details

Linear interpolation, interpolation outside bounds are done with continued linear interpolation from the last two FAME's

Value

The converted RI

Author(s)

Alvaro Cuadros-Inostroza, Matthew Hannah, Henning Redestig

See Also

RIcorrect, FAMEoutliers

Examples

  # RI standards
  standard <- c(100, 200, 300, 400, 500)
  # observed standard retention times
  observed <- c(10.4, 19.3, 32.4, 40.2, 50.3)
  # a random set of retention times
  RT       <- runif(100,1,60)	
  # the corrected RIs
  RI       <- rt2ri(RT, observed, standard)

acinostroza/TargetSearch documentation built on Nov. 13, 2024, 12:28 a.m.