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. Author manuscript; available in PMC: 2024 Oct 21.
Published in final edited form as: Nat Methods. 2021 Dec 2;18(12):1524–1531. doi: 10.1038/s41592-021-01331-z

Extended Data Fig. 3 |. Distribution of spectral entropy within compound classes in the NIST20 MS/MS library consisting of at least 50 molecules with collision energies between 20–40 eV.

Extended Data Fig. 3 |

The number of spectra is shown on the right of each compound class. For each boxplot, the center is the median. Left and right hinges depict the first and third quartiles. The whiskers stretch to 1.5-times the interquartile range of the corresponding hinge. (a) Positive mode electrospray MS/MS spectra (b) Negative mode electrospray MS/MS spectra.