diff --git a/DESCRIPTION b/DESCRIPTION index 3096856d442a2e0722102f6c44a7e57550d42555..0778bcf002ec5e15ab77542d296b2fa9001bc2aa 100644 --- a/DESCRIPTION +++ b/DESCRIPTION @@ -1,6 +1,6 @@ Package: shinyscreen Title: Pre-screening of Mass Spectrometry Data -Version: 1.0.11 +Version: 1.0.12 Author: Todor Kondić Maintainer: Todor Kondić <todor.kondic@uni.lu> Authors@R: diff --git a/NAMESPACE b/NAMESPACE index 4278e262b78cef8accdc3ca1d25adff6ea277b36..75bc9d3d18c89a50c8830ac0a630f359e2fd255a 100644 --- a/NAMESPACE +++ b/NAMESPACE @@ -42,4 +42,6 @@ export(sort_spectra) export(subset_summary) export(tk_save_file) import(data.table) +importFrom(MSnbase,filterMz) +importFrom(MSnbase,readMSData) importFrom(shiny,validate) diff --git a/R/extraction.R b/R/extraction.R index 8093905f622858ce4b6a8ea7722c86e2442ec338..7d767994ec613e40fdd610c84434d7c367b7e9d2 100644 --- a/R/extraction.R +++ b/R/extraction.R @@ -433,6 +433,7 @@ extr_msnb <-function(file,wd,mz,errEIC, errFinePPM,errCoarse=0.5,rt=NULL,errRT=N } +##' @importFrom MSnbase filterMz extr_msnb_ht <-function(file,wd,mz,errEIC, errFinePPM,errCoarse,fnSpec,rt=NULL,errRT=NULL,mode="onDisk") { ## Perform the entire data extraction procedure. ## @@ -461,7 +462,7 @@ extr_msnb_ht <-function(file,wd,mz,errEIC, errFinePPM,errCoarse,fnSpec,rt=NULL,e mzCrs<-gen_mz_range(mz=mz,err=errCoarse) mzMin<-min(mzCrs) mzMax<-max(mzCrs) - ms1<-MSnbase::trimMz(ms1,c(mzMin,mzMax)) + ms1<-filterMz(ms1,c(mzMin,mzMax)) fms2<-filt_ms2(ms1,ms2,mz,errCoarse=errCoarse,errFinePPM=errFinePPM) ## EICs for precursors. @@ -488,6 +489,7 @@ extr_eic_ms1 <- function(tab,err) { res } +##' @importFrom MSnbase filterMz readMSData ##' @export extract <- function(fn,tag,tab,err_ms1_eic.,err_coarse,err_fine,err_rt.,missing_precursors) { ## Extracts MS1 and MS2 EICs, as well as MS2 spectra, subject to @@ -521,8 +523,8 @@ extract <- function(fn,tag,tab,err_ms1_eic.,err_coarse,err_fine,err_rt.,missing_ mzmin <- min(mzrng) mzmax <- max(mzrng) read_ms1 <- function() { - ms1 <- MSnbase::readMSData(file=fn,msLevel=1,mode="onDisk") - ms1 <- MSnbase::filterMz(ms1,mz=c(mzmin,mzmax),msLevel=1) + ms1 <- readMSData(file=fn,msLevel=1,mode="onDisk") + ms1 <- filterMz(ms1,mz=c(mzmin,mzmax),msLevel=1) ms1 } read_ms2 <- function() {