Installation

IDSL.UFA is a standard R package ( https://cran.r-project.org/package=IDSL.UFA ). It is best to use it using the R-Studio IDE (https://www.rstudio.com/).

The R version must be > 4.

Hardware recommendations: Workstation or server with at least 10 cores and 100 GB memory. SSDs will speed up the calculations. The Software works well on both linux and windows environments.

To install the package, run this command in R.

install.packages("IDSL.UFA")

The command should also install all the dependencies for IDSL.UFA software.

IMPORTANT: Four main steps for running IDSL.UFA for a study are:

1) Process the raw data. IDSL.UFA needs peak lists generated by the IDSL.IPA package (www.ipa.idsl.me).

2) Generate a list of molecular formula or use a defined list of formula from a database

3) Generate the theoratical Isotope Profile Database (IPDB) for a list of formula

4) Run the IDSL.UFA workflow for formula assignment