Open lgatto opened 6 days ago
I would like to add the following to the package:
asDataFrame <- function(object, i = seq_along(object), spectraVars = spectraVariables(object)) { object <- object[i] n <- sapply(peaksData(object), nrow) v <- spectraData(object)[rep(seq_along(object), n), spectraVars] p <- do.call(rbind, peaksData(object)) cbind(p, v) }
> library(Spectra) > sciex <- Spectra(sciex_file, backend = MsBackendMzR()) > asDataFrame(sciex, i = 1:3, spectraVariables(sciex)[1:3]) DataFrame with 3707 rows and 5 columns mz intensity msLevel rtime acquisitionNum <numeric> <numeric> <integer> <numeric> <integer> 1 105.043 0 1 0.28 1 2 105.045 412 1 0.28 1 3 105.046 0 1 0.28 1 4 107.055 0 1 0.28 1 5 107.057 412 1 0.28 1 ... ... ... ... ... ... 3703 133.984 0 1 0.838 3 3704 133.985 132 1 0.838 3 3705 133.987 0 1 0.838 3 3706 133.989 132 1 0.838 3 3707 133.990 0 1 0.838 3
The goal is of course not to replace Spectra objects with long tables. It might be a useful intermediate data structure for plotting, and a useful interface with the tidyomics initiative.
Spectra
I would like to add the following to the package:
The goal is of course not to replace
Spectra
objects with long tables. It might be a useful intermediate data structure for plotting, and a useful interface with the tidyomics initiative.