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

This upload contains the data for the review: "Critical assessment of covered chemical space with LC-HRMS non-targeted analysis".

All the files needed to run the code uploaded to GitHub (https://github.com/tobihul/CEC_review_code) can be found here.

Included is: 

• All 2277 strutures found in the studied papers with their CID, InChIKey, and SMILES and whether they can be found in MassBank
• All the experimental parameters retrieved for each study in each category along with the general scope of each study
• The file with the CID, MW, XLogP3 and experimental parameters for each of the 57 papers
• 3 CSVfiles containing all the information needed to extract the classes of each strucure using the Julia code (Part A, B and C)
• The CSV with all of the structures used to plot the chemical space of NORMAN SusDat (their CIDs)