[Feature]: new code for data transformations

[wincowgerDEV]

Guidelines

• [X] I agree to follow this project's Contributing Guidelines.

Description

data_files <- list.files("FILE PATH HERE") # Identify file names (the file path should lead to the file that contains your .csv files) data_files # Print file names

This loop will 1) read your .csv files into R as individual data frames, 2)

for(i in 1:length(data_files)) { # Head of for-loop assign(data_files[i], # Read and store data frames read_csv(paste0("FILE PATH HERE/", # Make sure you have a backslash at the very end of the file path (as shown) data_files[i]), skip = 2, col_names = c("wavenumber", "intensity"))) # This "skip" function is set to skip the top 2 lines of the data frame when reading in the .csv and can be adjusted to your data accordingly. The col_names function is set to rename the columns to fit the OpenSpecy format. write_csv(get(data_files[i]), # Write CSV files to a new folder paste0("FILE PATH HERE/", # This file string should lead to the NEW folder you'd like to have the edited .csv files placed into. Again, make sure there is a backslash at the end of the string. data_files[i])) }

Problem

Transform data to csv standard

Proposed Solution

Code in desc

Alternatives Considered

Base

[wincowgerDEV]

Also this from garth for reading labspec text files.

read_labspec <-
  function(filename) {
    spectra <- read.delim(filename,
                          encoding = "UTF-8",
                          header = FALSE)
    for (i in 1:(nrow(spectra) - 1)) {
      for (j in 1:(ncol(spectra) - 1)) {
        wavenumber[j] = spectra[1, j + 1]
        intensity[j] = spectra[i + 1, j + 1]
      }
      data <- data.frame(wavenumber,
                         intensity)
      output[[i]] <- data
      write.csv(output[[i]], paste('spectra', i, 'csv', sep = '.'),
                row.names = FALSE)
    }
  }

[wincowgerDEV]

We have this functionality built in now.