| Type: | Package |
| Title: | A Graphical Interface to Perform STOCSY Analyses on NMR Data |
| Version: | 1.7 |
| Date: | 2023-12-05 |
| Author: | Luiz Henrique Keng Queiroz Junior[aut,cre], Vitor Mendes de Oliveira [aut] |
| Maintainer: | Luiz Henrique Keng Queiroz Junior <keng@ufg.br> |
| Description: | Launches a 'shiny' based application for Nuclear Magnetic Resonance (NMR)data importation and Statistical TOtal Correlation SpectroscopY (STOCSY) analyses in a full interactive approach. The theoretical background and applications of STOCSY method could be found at Cloarec, O., Dumas, M. E., Craig, A., Barton, R. H., Trygg, J., Hudson, J., Blancher, C., Gauguier, D., Lindon, J. C., Holmes, E. & Nicholson, J. (2005) <doi:10.1021/ac048630x>. |
| Depends: | R(≥ 3.6), shinyBS(≥ 0.61), shinyWidgets(≥ 0.4.3) |
| Imports: | Cairo(≥ 1.5), ggplot2(≥ 3.0.0), gtools(≥ 3.8.1), shiny(≥ 1.0.2), plotly, rstudioapi, data.table, readr |
| BugReports: | https://github.com/vitor-mendes-iq/iSTATS |
| Encoding: | UTF-8 |
| LazyData: | true |
| RoxygenNote: | 7.1.1 |
| NeedsCompilation: | no |
| Packaged: | 2023-12-05 19:42:54 UTC; sakod |
| License: | GPL (≥ 3) |
| Repository: | CRAN |
| Date/Publication: | 2023-12-06 02:10:02 UTC |
Matrix of NMR chemical shifts
Description
A matrix containing all chemical shifts of NMR data milk samples
Usage
CS_values_real
Format
A matrix with 11 rows and 32778 variables:
Matrix of NMR intensities
Description
A matrix containing the intensities of NMR data milk samples
Usage
NMRData
Format
A matrix with 11 rows and 32778 variables:
A list of sample names
Description
A list of sample names
Usage
file_names
Format
A list of string with sample names
A Graphical Interface to Perform STOCSY analyses on NMR Data
Description
Statistical TOtal Correlation SpectroscopY (STOCSY) is a method developed to analyze 1D Nuclear Magnetic Resonance (NMR) data, with many applications in metabolomic science, as to help the identification of molecules in complex mixture. Although STOCSY is promising method, its use requires some programming language skills. To overcome this challenge we developed the interactive STATistical Spectroscopy (iSTATS) package, based on 'shiny', in which it is possible to perform STOCSY analyses in a full interactive way, from 1D NMR matrix construction to select specifical regions to apply STOCSY methods more accurately.
Usage
iSTATS()
Examples
if(interactive()){iSTATS::iSTATS()}