mrbin (version 1.9.1)

editmetabolitesmrbin: 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
)

Value

An (invisible) mrbin object

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.

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