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Data files for:Critical assessment of the chemical space covered by LC-HRMS non-targeted analysis

<p>This upload contains the data&nbsp;for&nbsp;the review: &quot;Critical assessment of the chemical space covered by LC-HRMS non-targeted analysis&quot;.</p> <p>All the files needed to run the code uploaded to GitHub (https://github.com/tobihul/CEC_review_code)&nbsp;can be found here.</p> <p>Included is:&nbsp;</p> <ul> <li>All 2657 structures found in the studied papers with their&nbsp;CID, InChIKey, and SMILES&nbsp;and whether they can be found in MassBank</li> <li>All the experimental parameters retrieved for each study in each category along with the general scope of each study</li> <li>The file with the CID, MW, XLogP3 and experimental parameters for each of the 61&nbsp;papers</li> <li>The CSV file&nbsp;containing all classes of each of the compounds from the papers</li> <li>The CSV with all of the structures used to plot the chemical space of NORMAN SusDat (their CIDs)</li> </ul> <p>&nbsp;</p> <p>&nbsp;</p>

ShareScore

44/100

Overall dataset sharing score

Score breakdown

These five areas show where the dataset supports — or may limit — practical reuse.

Stewardship
8
Harmonization
4
Access
20
Reuse readiness
8
Engagement
4

Topics