A package developed in R using shiny dashbord, iSTATS (interactive STAtisTical Spectroscopy) have a GUI platform where user can analize NMR data 1D. From the construction of the matrix, going through a pre-treatment of the data to the application of STOCSY methods, which are used in the study of metabolomics, and among other areas whose characterization and relationship between the molecules are the object of study in NMR technology.
There are 2 ways to install iSTATS, fisrt one is on CRAN (The Comprehensive R Archive Network) and another is from here github.
You can install by R with command install.packages('iSTATS') or you can use RStudio tool as in the figure below:
First install devtools package with the command install.packages("devtools").
After install library(devtools), you can install iSTATS with the command install_github("LaCiDIAUFG/iSTATS").
After install iSTATS, you must load and run the package with the commands library(iSTATS) and iSTATS(), so it will open in the web browser.
In Data menu is possible import NMR data in .csv , .txt,and .RData.
When importing NMR data in .csv format, they must be in accordance with the figure below:
When importing NMR data in .RData format, they must be in accordance with the figure below:
This section import a file that can be make in TopSpin with command convbin2asc on each sample and after import on iSTATS choosing each sample you need.