Chemotion integration

[vcnainala]

nmrXiv to create an APP_Key for Chemotion to interact with nmrXiv

Submission flow

Step 1:

• Create a user (upon the user agreeing to terms and conditions for chemotion to do this on user's behalf) (endpoint)
• nmrXiv returns user-token to chemotion for further communication
• nmrXiv to send user email about the registration (password reset on the first login)

Step 2:

• For every submission
  • Request a draft ID (API)(endpoint)
  • Specifying draft ID request a temporary upload URL (endpoint)
  • Upload bagit/RO-crate zip file to the temporary storage URL
  • Upon completion, trigger processing on draft (endpoint)
  • nmrXiv will unzip and process the uploaded contents
    • Unzip
    • Process samples raw data and metadata ( raw files, nmredata / mol / jcamp and bioschema JSON)
    • Validations
  • Chemotion request validation based on draft id (endpoint)
    • Missing information can be requested directly on the chemotion interface or redirects the user to nmrXiv (already have an email with login details)

Step 3: Chemotion

• Upon successful validation
  • Publish now / later