diff --git a/DESCRIPTION b/DESCRIPTION index f63fdc9ebf721671ca1579db996b6134601536b4..5172b2bb1d9e5ea8d1292f29679bce386e82bab8 100644 --- a/DESCRIPTION +++ b/DESCRIPTION @@ -63,6 +63,7 @@ Imports: tools, scales, parallel, + future, yaml, mzR, MSnbase, diff --git a/R/extraction.R b/R/extraction.R index 3f49abbc4d27a706efa6a888f28be01def975bb1..0fcd989bdbc6950ca35ab7a48d8279ef603981d5 100644 --- a/R/extraction.R +++ b/R/extraction.R @@ -19,6 +19,30 @@ load_raw_data<-function(fn,mode="inMemory") { } +centroided1 <- function(ms) { + if (all(MSnbase::centroided(ms)) == T) + return(T) else { + state <- MSnbase::isCentroided(ms) + N <- length(state) + fls <-length(which(state == F)) + if (fls/(1.*N) < 0.01) T else F + } + +} + +centroided <- function(msvec) { + if (is.vector(msvec)) { + f <- list() + for (i in 1:length(msvec)) { + f[[i]] <- future::future(centroided1(msvec[[i]])) + } + lapply(f, FUN = future::value) + } else { + centroided1(msvec) + } + +} + acq_mz<-function(tabFn) { df<-read.csv(tabFn, stringsAsFactors=F,