iSTATS

Intro

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.

Install iSTATS

There are 2 ways to install iSTATS, fisrt one is on CRAN (The Comprehensive R Archive Network) and another is from here github.

Install iSTATS from CRAN

You can install by R with command install.packages('iSTATS') or you can use RStudio tool as in the figure below:

Install iSTATS from Github

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").

Run 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.

import

In Data menu is possible import NMR data in .csv , .txt,and .RData.

import_csv

When importing NMR data in .csv format, they must be in accordance with the figure below:

import_Rdata

When importing NMR data in .RData format, they must be in accordance with the figure below:

import_Brukerfile

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.