Is that right that more abundance value means more mass value in different samples with identical label? Just to be sure in feature engineering.
If you haven’t already, I encourage you to read the “Understanding EGA-MS Data” section of the problem description page.
In particular, this section may be most relevant to your question:
- In chemical analysis, it is common to compare the relative amounts of different substances (e.g., a hydrated sulfate mineral such as gypsum [CaSO4•2H2O] releases 2 moles of water and one mole of SO2 when thermally decomposed). Accordingly, scientists will typically interpret mass spectrometry abundances collected from one sample in a relative way. Sometimes, mass spectra are normalized as “relative abundance” from 0 to 100 with the highest abundance value mapped to 100. (Note that this normalization should happen after background subtraction, discussed later in this section.)