Batch file for automatic conversion added

AutoConversion.cmd

@@ -0,0 +1 @@
+R CMD BATCH --no-save OpusData.R

OpusData.R

@@ -14,6 +14,10 @@ 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 = 4, stop = nchar(file_path))
+
 # Extract data
 data_x_values <- data[[file_path]]$wavenumbers
 data_y_values <- as.numeric(data[[file_path]]$spc[1,])

OpusData.Rout

@@ -0,0 +1,65 @@
+
+R version 4.0.3 (2020-10-10) -- "Bunny-Wunnies Freak Out"
+Copyright (C) 2020 The R Foundation for Statistical Computing
+Platform: x86_64-w64-mingw32/x64 (64-bit)
+
+R ist freie Software und kommt OHNE JEGLICHE GARANTIE.
+Sie sind eingeladen, es unter bestimmten Bedingungen weiter zu verbreiten.
+Tippen Sie 'license()' or 'licence()' für Details dazu.
+
+R ist ein Gemeinschaftsprojekt mit vielen Beitragenden.
+Tippen Sie 'contributors()' für mehr Information und 'citation()',
+um zu erfahren, wie R oder R packages in Publikationen zitiert werden können.
+
+Tippen Sie 'demo()' für einige Demos, 'help()' für on-line Hilfe, oder
+'help.start()' für eine HTML Browserschnittstelle zur Hilfe.
+Tippen Sie 'q()', um R zu verlassen.
+
+> #!/usr/bin/env Rscript
+> 
+> # Package installation, execute once
+> #if (!require("remotes")) install.packages("remotes")
+> #remotes::install_github("philipp-baumann/simplerspec")
+> 
+> # Attach package to workspace, execute with every new session
+> library("simplerspec")
+Lade nötiges Paket: foreach
+> 
+> # Determine file path
+> path <- paste(getwd(), "\\OPUS\\", sep = "")
+> file_name <- "Rng02_Rng2630_01.0"
+> 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)
+Extracted spectra data from file: <OpusData\OPUS\Rng02_Rng2630_01.0>
+> 
+> #Cut the beginning (ugly solution)
+> file_path <- substr(file_path, start = 4, stop = nchar(file_path))
+> 
+> # Extract data
+> data_x_values <- data[[file_path]]$wavenumbers
+> data_y_values <- as.numeric(data[[file_path]]$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)
+[1] TRUE
+> 
+> # Fill file with dataframe
+> write.table(data, file_name, row.names = FALSE, col.names = FALSE, sep=",")
+> 
+> 
+> 
+> 
+> 
+> 
+> proc.time()
+       User      System verstrichen 
+       0.50        0.12        0.67