Automated LC-MS analysis and data extraction for high-throughput chem…

…istry (#206)

* submission 47465522 (#192)

* submission 47465522

* submission 47465522 - update details

* submission 47465522 - update pd catalyst details

* Dataset from 24Golden paper Fig 7 #194 (#197) (#205)

* Uploading dataset pbtxt for 24Golden paper Fig 7 (#194)

* Uploading dataset pbtxt for 24Golden paper Fig 7

https://doi.org/10.1016/j.chempr.2024.04.001

* Add files via upload

This is the revised .pbtxt file reviewed by @bendeadman for Fig. 7 data.

Changes made:

- Elaborated the dataset description
- Added the well identifier to reactions
- added some 'details' to the reaction identifiers and the product LC measurement to give context.
- changed the provenance html to point to the doi link (should be more permanent)

* Delete 24_Golden_Fig_7_dataset.pbtxt

* Update submission

* Remove dataset to redo pull

Count reactions workflow failing so removing the dataset to redo pull.

* added the dataset back in

* Update badges

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Co-authored-by: spencerheins <[email protected]>
Co-authored-by: github-actions <[email protected]>

* Revert "Dataset from 24Golden paper Fig 7 #194 (#197) (#205)"

This reverts commit 3efa3c4.

* Replace dataset with edited version

Added addition device details, and some extra details to the catalyst descriptions.

* Updated the dataset

Hopefully fixed the record created timestamp so it will pass tests.

* add dataset name and description back in

* Update record creation timestamp

Trying to avoid validation error where record created is later than record modified - possibly due to American month format!

* Update submission

* Update badges

* update file with dataset name and description

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Co-authored-by: Qianxiang Ai <[email protected]>
Co-authored-by: spencerheins <[email protected]>
Co-authored-by: github-actions <[email protected]>