Batch file for automatic conversion added
This commit is contained in:
parent
1a26e7796b
commit
8addcea3ba
1
AutoConversion.cmd
Normal file
1
AutoConversion.cmd
Normal file
@ -0,0 +1 @@
|
||||
R CMD BATCH --no-save OpusData.R
|
1744
DPT/Rng02_Rng2630_01_0.DPT
Normal file
1744
DPT/Rng02_Rng2630_01_0.DPT
Normal file
File diff suppressed because it is too large
Load Diff
@ -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,])
|
||||
|
65
OpusData.Rout
Normal file
65
OpusData.Rout
Normal file
@ -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
|
Loading…
Reference in New Issue
Block a user