cheminfo / nmrml-converter

0 stars 0 forks source link

Create converter for nmrML files #1

Open lpatiny opened 1 year ago

lpatiny commented 1 year ago

This library will then be added in nmr-load-save

The format is open and specifications can easily be find on https://nmrml.org/examples/1/.

For the parsing please use: https://github.com/cheminfo/arraybuffer-xml-parser

There is an example that allows to convert base64 without having to go through the creation of a string

https://github.com/cheminfo/arraybuffer-xml-parser/blob/bdd1f62609f3f151855838d6ad4681eb335f25eb/src/__tests__/base64.test.js#L9-L18

ghost commented 1 year ago

I'll check this tomorrow. Thanks!

lpatiny commented 11 months ago

We don't know a database that only provides nmrML so it does not seem like a priority. I was thinking about HMDB but they also provide JCAMP-DX files. https://academic.oup.com/nar/article/50/D1/D622/6431815