Additional file 3 of OffsampleAI: artificial intelligence approach to recognize off-sample mass spectrometry images

Additional file 3 : Supplementary Data D1-D5: D1: “Supplementary methods and results.pdf”. D2: “Interactive tagging of ion images using web app.mov”, video of a tagger using the TagOff web app. D3: “Gold standard datasets.csv”, metadata of 87 public datasets from METASPACE selected for the gold standard. D4: “DHB matrix clusters frequencies.csv”, results of annotation of 31 gold standard datasets acquired using the MALDI DHB matrix and positive ion mode and off-sample recognition for DHB matrix clusters generated according to a combinatorial model. D5: “DESI offsample ions frequencies.csv”, a file showing for each molecular formula the number of DESI imaging datasets from the gold standard where ions with such molecular formula were classified as off-sample.