README.md

In angelovangel/readGC: Parser for Shimadzu GCsolution and GCMSsolution batch data

readGC

Parser for Shimadzu GCsolution and GCMSsolution data.

Background

When doing quantitative analysis on Shimadzu GC-FID or GC-MS, the software does not support export of the data in a usable format. During processing of the data, the user can select "ASCII convert" and export the data of a batch run to a text file (click the "Compound Quantitative Result" checkbox before export). This text file contains information about the samples of the batch and about the measured compounds. However, extracting this data for downstream processing can be tedious and involves a lot of manual copying.

Installation adn usage

The readGC() function reads these files and extracts the information in a dataframe. If needed, an excel file can also be generated (requires the writexl package). You can install it from Github: devtools::install_github("angelovangel/readGC") and then use the function: readGC(file)

You just pass the file argument (path to exported file name, use quotes) and (optionally) writexl = TRUE if you want to save the data as an excel file. The readGC() function returns a tibble with the data and additional information is printed to the console. I have tested it with GC-FID and with GS-MS data exported from the Shimadzu GC(MS)solution software (test files can be downloaded from the example-data folder) , it is important that when exporting only the "Compound Quantitative Result" checkbox is selected.

angelovangel/readGC documentation built on May 23, 2019, 2:46 p.m.