From 61e3472e822aa7cb8415a33d369a276d2ccddeec Mon Sep 17 00:00:00 2001 From: Ruben Date: Wed, 20 Jan 2021 16:04:23 +0100 Subject: [PATCH] file structure changes / Execute Rscript with parameter --- AutoConversion.cmd | 3 +- DPT/Rng02_Rng2630_01_0.DPT | 1744 ------------------------ {OPUS => OPUS_save}/Rng02_Rng2630_02.0 | Bin {OPUS => OPUS_save}/Rng02_Rng2630_03.0 | Bin {OPUS => OPUS_save}/Rng02_Rng2630_04.0 | Bin {OPUS => OPUS_save}/Rng02_Rng2630_05.0 | Bin {OPUS => OPUS_save}/Rng02_Rng2630_06.0 | Bin {OPUS => OPUS_save}/Rng02_Rng2630_07.0 | Bin {OPUS => OPUS_save}/Rng02_Rng2630_08.0 | Bin {OPUS => OPUS_save}/Rng02_Rng2630_09.0 | Bin {OPUS => OPUS_save}/Rng02_Rng2631_01.0 | Bin {OPUS => OPUS_save}/Rng02_Rng2631_02.0 | Bin {OPUS => OPUS_save}/Rng02_Rng2631_03.0 | Bin {OPUS => OPUS_save}/Rng02_Rng2631_04.0 | Bin {OPUS => OPUS_save}/Rng02_Rng2631_05.0 | Bin {OPUS => OPUS_save}/Rng02_Rng2631_06.0 | Bin {OPUS => OPUS_save}/Rng02_Rng2631_07.0 | Bin {OPUS => OPUS_save}/Rng02_Rng2631_08.0 | Bin {OPUS => OPUS_save}/Rng02_Rng2631_09.0 | Bin {OPUS => OPUS_save}/Rng02_Rng2632_01.0 | Bin {OPUS => OPUS_save}/Rng02_Rng2632_02.0 | Bin {OPUS => OPUS_save}/Rng02_Rng2632_03.0 | Bin {OPUS => OPUS_save}/Rng02_Rng2632_04.0 | Bin {OPUS => OPUS_save}/Rng02_Rng2632_05.0 | Bin {OPUS => OPUS_save}/Rng02_Rng2632_06.0 | Bin {OPUS => OPUS_save}/Rng02_Rng2632_07.0 | Bin {OPUS => OPUS_save}/Rng02_Rng2632_08.0 | Bin {OPUS => OPUS_save}/Rng02_Rng2632_09.0 | Bin {OPUS => OPUS_save}/Rng02_Rng2633_01.0 | Bin {OPUS => OPUS_save}/Rng02_Rng2633_02.0 | Bin {OPUS => OPUS_save}/Rng02_Rng2633_03.0 | Bin {OPUS => OPUS_save}/Rng02_Rng2633_04.0 | Bin {OPUS => OPUS_save}/Rng02_Rng2633_05.0 | Bin {OPUS => OPUS_save}/Rng02_Rng2633_06.0 | Bin {OPUS => OPUS_save}/Rng02_Rng2633_07.0 | Bin {OPUS => OPUS_save}/Rng02_Rng2633_08.0 | Bin {OPUS => OPUS_save}/Rng02_Rng2633_09.0 | Bin {OPUS => OPUS_save}/Rng02_Rng2634_01.0 | Bin {OPUS => OPUS_save}/Rng02_Rng2634_02.0 | Bin {OPUS => OPUS_save}/Rng02_Rng2634_03.0 | Bin {OPUS => OPUS_save}/Rng02_Rng2634_04.0 | Bin {OPUS => OPUS_save}/Rng02_Rng2634_05.0 | Bin {OPUS => OPUS_save}/Rng02_Rng2634_06.0 | Bin {OPUS => OPUS_save}/Rng02_Rng2634_07.0 | Bin {OPUS => OPUS_save}/Rng02_Rng2634_08.0 | Bin {OPUS => OPUS_save}/Rng02_Rng2634_09.0 | Bin {OPUS => OPUS_save}/Rng02_Rng2635_01.0 | Bin {OPUS => OPUS_save}/Rng02_Rng2635_02.0 | Bin {OPUS => OPUS_save}/Rng02_Rng2635_03.0 | Bin {OPUS => OPUS_save}/Rng02_Rng2635_04.0 | Bin {OPUS => OPUS_save}/Rng02_Rng2635_05.0 | Bin {OPUS => OPUS_save}/Rng02_Rng2635_06.0 | Bin {OPUS => OPUS_save}/Rng02_Rng2635_07.0 | Bin {OPUS => OPUS_save}/Rng02_Rng2635_08.0 | Bin {OPUS => OPUS_save}/Rng02_Rng2635_09.0 | Bin OpusData.R | 2 +- OpusData.Rout | 65 - 57 files changed, 3 insertions(+), 1811 deletions(-) delete mode 100644 DPT/Rng02_Rng2630_01_0.DPT rename {OPUS => OPUS_save}/Rng02_Rng2630_02.0 (100%) rename {OPUS => OPUS_save}/Rng02_Rng2630_03.0 (100%) rename {OPUS => OPUS_save}/Rng02_Rng2630_04.0 (100%) rename {OPUS => OPUS_save}/Rng02_Rng2630_05.0 (100%) rename {OPUS => OPUS_save}/Rng02_Rng2630_06.0 (100%) rename {OPUS => OPUS_save}/Rng02_Rng2630_07.0 (100%) rename {OPUS => OPUS_save}/Rng02_Rng2630_08.0 (100%) rename {OPUS => OPUS_save}/Rng02_Rng2630_09.0 (100%) rename {OPUS => OPUS_save}/Rng02_Rng2631_01.0 (100%) rename {OPUS => OPUS_save}/Rng02_Rng2631_02.0 (100%) rename {OPUS => OPUS_save}/Rng02_Rng2631_03.0 (100%) rename {OPUS => OPUS_save}/Rng02_Rng2631_04.0 (100%) rename {OPUS => OPUS_save}/Rng02_Rng2631_05.0 (100%) rename {OPUS => OPUS_save}/Rng02_Rng2631_06.0 (100%) rename {OPUS => OPUS_save}/Rng02_Rng2631_07.0 (100%) rename {OPUS => OPUS_save}/Rng02_Rng2631_08.0 (100%) rename {OPUS => OPUS_save}/Rng02_Rng2631_09.0 (100%) rename {OPUS => OPUS_save}/Rng02_Rng2632_01.0 (100%) rename {OPUS => OPUS_save}/Rng02_Rng2632_02.0 (100%) rename {OPUS => OPUS_save}/Rng02_Rng2632_03.0 (100%) rename {OPUS => OPUS_save}/Rng02_Rng2632_04.0 (100%) rename {OPUS => OPUS_save}/Rng02_Rng2632_05.0 (100%) rename {OPUS => OPUS_save}/Rng02_Rng2632_06.0 (100%) rename {OPUS => OPUS_save}/Rng02_Rng2632_07.0 (100%) rename {OPUS => OPUS_save}/Rng02_Rng2632_08.0 (100%) rename {OPUS => OPUS_save}/Rng02_Rng2632_09.0 (100%) rename {OPUS => OPUS_save}/Rng02_Rng2633_01.0 (100%) rename {OPUS => OPUS_save}/Rng02_Rng2633_02.0 (100%) rename {OPUS => OPUS_save}/Rng02_Rng2633_03.0 (100%) rename {OPUS => OPUS_save}/Rng02_Rng2633_04.0 (100%) rename {OPUS => OPUS_save}/Rng02_Rng2633_05.0 (100%) rename {OPUS => OPUS_save}/Rng02_Rng2633_06.0 (100%) rename {OPUS => OPUS_save}/Rng02_Rng2633_07.0 (100%) rename {OPUS => OPUS_save}/Rng02_Rng2633_08.0 (100%) rename {OPUS => OPUS_save}/Rng02_Rng2633_09.0 (100%) rename {OPUS => OPUS_save}/Rng02_Rng2634_01.0 (100%) rename {OPUS => OPUS_save}/Rng02_Rng2634_02.0 (100%) rename {OPUS => OPUS_save}/Rng02_Rng2634_03.0 (100%) rename {OPUS => OPUS_save}/Rng02_Rng2634_04.0 (100%) rename {OPUS => OPUS_save}/Rng02_Rng2634_05.0 (100%) rename {OPUS => OPUS_save}/Rng02_Rng2634_06.0 (100%) rename {OPUS => OPUS_save}/Rng02_Rng2634_07.0 (100%) rename {OPUS => OPUS_save}/Rng02_Rng2634_08.0 (100%) rename {OPUS => OPUS_save}/Rng02_Rng2634_09.0 (100%) rename {OPUS => OPUS_save}/Rng02_Rng2635_01.0 (100%) rename {OPUS => OPUS_save}/Rng02_Rng2635_02.0 (100%) rename {OPUS => OPUS_save}/Rng02_Rng2635_03.0 (100%) rename {OPUS => OPUS_save}/Rng02_Rng2635_04.0 (100%) rename {OPUS => OPUS_save}/Rng02_Rng2635_05.0 (100%) rename {OPUS => OPUS_save}/Rng02_Rng2635_06.0 (100%) rename {OPUS => OPUS_save}/Rng02_Rng2635_07.0 (100%) rename {OPUS => OPUS_save}/Rng02_Rng2635_08.0 (100%) rename {OPUS => OPUS_save}/Rng02_Rng2635_09.0 (100%) delete mode 100644 OpusData.Rout diff --git a/AutoConversion.cmd b/AutoConversion.cmd index 7fb6404..69c3704 100644 --- a/AutoConversion.cmd +++ b/AutoConversion.cmd @@ -1 +1,2 @@ -R CMD BATCH --no-save OpusData.R +Rscript OpusData.R Rng02_Rng2630_01.0 +pause diff --git a/DPT/Rng02_Rng2630_01_0.DPT b/DPT/Rng02_Rng2630_01_0.DPT deleted file mode 100644 index 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OPUS/Rng02_Rng2635_07.0 rename to OPUS_save/Rng02_Rng2635_07.0 diff --git a/OPUS/Rng02_Rng2635_08.0 b/OPUS_save/Rng02_Rng2635_08.0 similarity index 100% rename from OPUS/Rng02_Rng2635_08.0 rename to OPUS_save/Rng02_Rng2635_08.0 diff --git a/OPUS/Rng02_Rng2635_09.0 b/OPUS_save/Rng02_Rng2635_09.0 similarity index 100% rename from OPUS/Rng02_Rng2635_09.0 rename to OPUS_save/Rng02_Rng2635_09.0 diff --git a/OpusData.R b/OpusData.R index ce09f66..af36244 100644 --- a/OpusData.R +++ b/OpusData.R @@ -16,7 +16,7 @@ file_path <- paste(path, file_name, sep = "") 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)) +file_path <- substr(file_path, start = 20, stop = nchar(file_path)) # Extract data data_x_values <- data[[file_path]]$wavenumbers diff --git a/OpusData.Rout b/OpusData.Rout deleted file mode 100644 index 71e1cf7..0000000 --- a/OpusData.Rout +++ /dev/null @@ -1,65 +0,0 @@ - -R version 4.0.3 (2020-10-10) -- "Bunny-Wunnies Freak Out" -Copyright (C) 2020 The R Foundation for Statistical Computing -Platform: x86_64-w64-mingw32/x64 (64-bit) - -R ist freie Software und kommt OHNE JEGLICHE GARANTIE. -Sie sind eingeladen, es unter bestimmten Bedingungen weiter zu verbreiten. -Tippen Sie 'license()' or 'licence()' für Details dazu. - -R ist ein Gemeinschaftsprojekt mit vielen Beitragenden. -Tippen Sie 'contributors()' für mehr Information und 'citation()', -um zu erfahren, wie R oder R packages in Publikationen zitiert werden können. - -Tippen Sie 'demo()' für einige Demos, 'help()' für on-line Hilfe, oder -'help.start()' für eine HTML Browserschnittstelle zur Hilfe. -Tippen Sie 'q()', um R zu verlassen. - -> #!/usr/bin/env Rscript -> -> # Package installation, execute once -> #if (!require("remotes")) install.packages("remotes") -> #remotes::install_github("philipp-baumann/simplerspec") -> -> # Attach package to workspace, execute with every new session -> library("simplerspec") -Lade nötiges Paket: foreach -> -> # Determine file path -> path <- paste(getwd(), "\\OPUS\\", sep = "") -> file_name <- "Rng02_Rng2630_01.0" -> file_path <- paste(path, file_name, sep = "") -> -> # Convert opus binary file into extractable data -> data <- read_opus_univ(file_path, extract = "spc",atm_comp_minus4offset = FALSE) -Extracted spectra data from file: -> -> #Cut the beginning (ugly solution) -> file_path <- substr(file_path, start = 4, stop = nchar(file_path)) -> -> # Extract data -> data_x_values <- data[[file_path]]$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