editmetabolitesmrbin: A function for editing metabolite identities.

In mrbin: Metabolomics Data Analysis Functions

A function for editing metabolite identities.

Description

This function edits the metabolite list within an mrbin object and returns it

Usage

editmetabolitesmrbin(
  mrbinObject,
  borders = NULL,
  metabolitenames = NULL,
  add = FALSE,
  ids = NULL
)

Arguments

mrbinObject	An mrbin object
borders	A matrix of signal borders. 1D: two columns: left, right. 2D: four columns: left, right, top, bottom
metabolitenames	A character vector of metabolite identities
add	Should the new metabolite list be added to an existing list, or replace the current list?
ids	A matrix of potential metabolite identities. This has to be a matrix with columns indicating left, right, top, bottom. Rownames are metabolite names. If this matrix is not provided, borders and metabolitenames have to be provided.

Value

An (invisible) mrbin object

Examples

 results<-mrbin(silent=TRUE,
                   parameters=list(verbose=TRUE,dimension="1D",PQNScaling="No",
                   binwidth1D=0.04,signal_to_noise1D=1,PCA="No",binRegion=c(9.5,0.5,10,156),
                   saveFiles="No",referenceScaling="No",noiseRemoval="No",
                   fixNegatives="No",logTrafo="No",noiseThreshold=.05,tryParallel=TRUE,
                   NMRfolders=c(system.file("extdata/2/10/pdata/10",package="mrbin"),
                              system.file("extdata/3/10/pdata/10",package="mrbin"))
                   ))
 results<-editmetabolitesmrbin(results,borders=matrix(c(
     1.346,1.324,
     4.12,4.1,
     3.052,3.043,
     4.066,4.059
   ),ncol=2,byrow=TRUE),metabolitenames=c(
   "Lactate",
   "Lactate",
   "Creatinine",
   "Creatinine"
   ))
results$parameters$metaboliteIdentities

mrbin documentation built on June 8, 2025, 2:01 p.m.