Karlijn Hummelink

Appendix 268 Supplementary Table 2: m/Z regions used for coarse normalization Lower limit m/Z Upper limit m/Z 6100 7500 8500 10700 13100 15000 Spectra then underwent an additional baseline-smoothing background subtraction using Eilers’ method (Eilers PHC, Boelens HFM. Baseline Correction with Asymmetric Least Squares Smoothing. 2005 Leiden Univ. Medical Centre Report. https://zanran_storage.s3.amazonaws.com/www.science.uva.nl/ContentPages/443199618.pdf) aimed at increasing spectral reproducibility and limiting batchto-batch variation and a second partial ion current normalization was carried using the m/Z regions in Supplementary Table 3. Supplementary Table 3: m/Z regions used for second normalization Lower limit m/Z Upper limit m/Z 6931.26 6963.03 6963.58 6978.64 6979.01 7011.52 7012.07 7030.07 7030.26 7039.99 7066.99 7084.26 13864.91 13924.11 13925.45 13959.08 13959.98 14002.58 14008.41 14076.57 14077.02 14122.31 14124.55 14179.70 14180.60 14228.58 14229.93 14279.70 14280.60 14323.20 14412.88 14457.73 14464.45 14514.23 14516.47 14570.28 14571.18 14618.26 21006.87 21124.88 21125.85 21221.13 21221.61 21322.70

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