#!/usr/bin/env Rscript # Package installation, execute once #install.packages("remotes") #remotes::install_github("philipp-baumann/simplerspec") # Attach package to workspace, execute with every new session library("simplerspec") # Determine file path path <- paste(getwd(), "/OPUS/", sep = "") file_name <- commandArgs(trailingOnly = TRUE)[1] file_path <- paste(path, file_name, sep = "") # Convert opus binary file into extractable data data <- read_opus_univ(file_path, extract = "spc",atm_comp_minus4offset = FALSE) #Cut the beginning (ugly solution) #file_path <- substr(file_path, start = 10, stop = nchar(file_path)) # Extract data data_x_values <- data[[file_name]]$wavenumbers data_y_values <- as.numeric(data[[file_name]]$spc[1,]) # Set working directory to path where the result file should appear setwd(paste(path, "..\\DPT", sep = "")) # Convert data into dataframe data <- data.frame(data_x_values, data_y_values, row.names = NULL) # Replace last "." with "_", add ".DPT" and create file file_name <- paste(sub(".([^.]*)$", "_\\1", file_name), ".DPT", sep = "") file.create(file_name) # Fill file with dataframe write.table(data, file_name, row.names = FALSE, col.names = FALSE, sep=",")