Classics_Eugenol download contains incorrect chemical structure (TopSpin fragments auto-published) #1349
Description
Describe the bug
Downloading classics_Eugenol from nmrXiv returns a wrong/incorrect chemical structure. The structure fragments appear to have been auto-extracted from the raw data by TopSpin during processing and then automatically picked up by the submission workflow, resulting in publication of unintended fragments/structures.
To Reproduce
- Steps to reproduce the behavior:
- Go to nmrXiv.
- Navigate/search for the dataset/project classics_Eugenol.
- Open the dataset/project page.
- Download the dataset.
- Open/view the included structure file.
- See that the exported/published structure is incorrect (contains unintended fragments from TopSpin extraction).
Expected behavior
The downloaded structure for classics_Eugenol should match the correct Eugenol structure, without unintended fragments or incorrect assemblies introduced by automated TopSpin extraction.