CHEMeDATA-maker
Add CHEMeDATA to documents.
Goal
Facilitate the association of spectroscopic data (in the form of text) to chemical structures.
In the annexe of many PhD thesis, the spectroscopic data are shown next to the structure:
This tool will show, next to a molecules (which structure were extracted using OSRA), the text (which was extracted using pdfjs-dist) so that the user can select (whith some help looking for keywords such as 1H-NMR, etc.) the text of the assignement.
This could be save as NMReDATA, i.e. a format associating the structure with NMR data.
Optionally, the user should be able to drop NMR, IR, etc. spectra… or Mnova (or other) files to add spectra and assignement.
Optionally, the user could assign the molecules, if it was not done already in the previous step.
Finally the data could be (automatically) saved on (say) Zenodo after the user was identified with his ORCID ID to automatise author/institution filling.
Installation
NOTHING TO INSTALL YET - THIS IS UNDER DEVELOPMENT
$ npm i CHEMeDATA-maker
Usage
import library from 'CHEMeDATA-maker';
const result = library(args);
// result is ...
API Documentation
License
Initial creation of node module
Starting point using create-a-new-project.