Data files for:Critical assessment of the chemical space covered by LC-HRMS non-targeted analysis
<p>This upload contains the data for the review: "Critical assessment of the chemical space covered by LC-HRMS non-targeted analysis".</p> <p>All the files needed to run the code uploaded to GitHub (https://github.com/tobihul/CEC_review_code) can be found here.</p> <p>Included is: </p> <ul> <li>All 2657 structures found in the studied papers with their CID, InChIKey, and SMILES 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 papers</li> <li>The CSV file 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> </p> <p> </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