p2m2/positional-carbon13-enrichment

Positional 13C-enrichments were calculated by combining mean 13C-enrichments of multiple fragments that shared part of the same carbon backbone

Calculations of ¹³C-Positional Enrichments

¹³C-positional enrichments were calculated by combining mean ¹³C enrichments of several mass fragments that shared part of the carbon backbone from the same TMS derivative. A workflow has been created to calculate these ¹³C-positional enrichments directly from the outputs of our ¹³C-processing method

To use the software without prior installation and obtain a visual rendering, please visit the site https://p2m2.github.io/positional-carbon13-enrichment/

For a precise description of the method, refer to the publication "Evaluation of GC/MS-Based ¹³C-Positional Approaches for TMS Derivatives of Organic and Amino Acids and Application to Plant ¹³C-Labeled Experiments"

Software programming environment

• SBT
• Scala
• ScalaJS - Node.js with JSDOM
• Node.js

Dependencies for HTML generation

• Chart.js
• ScalaTags

command line

run tests

sbt test

Html

Development version

sbt fastOptJS::webpack
# open html/index.html

Release

sbt fullOptJS::webpack
cp target/scala-2.13/scalajs-bundler/main/positional-carbon13-enrichment-opt-bundle.js docs/
# open docs/index.html

Information about the authors and the software

Y. Dellero, O. Filangi, A . Bouchereau

• Institute for Genetics, Environment and Plant Protection (IGEPP), National Research Institute for Agriculture, Food and Environment (INRAE), Institut Agro, Université Rennes, 35650 Le Rheu, France
• Metabolic Profiling and Metabolomic Platform (P2M2), Biopolymers Interactions Assemblies, Institute for Genetics, Environment and Plant Protection, 35650 Le Rheu, France
• MetaboHUB, National Infrastructure of Metabolomics and Fluxomics, 35650 Le Rheu, France

This code is released under the MIT License.