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  • 2023

    Mass spectrometry data processing in MZmine 3: feature detection and annotation

    Damiani, T., Heuckeroth, S., Smirnov, A., Mokshyna, O., Brungs, C., Korf, A., Smith, J., Stincone, P., Dreolin, N., Nothias, L. F., Hyötyläinen, T., Oresic, M., Karst, U., Dorrestein, P. C., Petras, D., Du, X., van der Hooft, J., Schmid, R. & Pluskal, T., 28 Nov 2023, ChemRxiv.

    Research output: Working paperPreprint

  • Reproducible MS/MS library cleaning pipeline in matchms

    de Jonge, N. F., Hecht, H., van der Hooft, J. J. J. & Huber, F., 27 Nov 2023, ChemRxiv, 11 p.

    Research output: Working paperPreprint

    Open Access
  • The Hitchhiker’s Guide to Statistical Analysis of Feature-based Molecular Networks from Non-Targeted Metabolomics Data

    Pakkir Shah, A. K., Walter, A., Ottosson, F., Russo, F., Navarro-Díaz, M., Boldt, J., Kalinski, J.-C., Kontou, E. E., Elofson, J., Polyzois, A., González-Marín, C., Farrell, S., Aggerbeck, M. R., Pruksatrakul, T., Chan, N., Wang, Y., Pöchhacker, M., Brungs, C., Cámara, B. & Caraballo-Rodríguez, A. M. & 37 others, Cumsille, A., de Oliveira, F., Dührkop, K., El Abiead, Y., Geibel, C., Graves, L. G., Hansen, M., Steffen, H., Knoblauch, S., Kostenko, A., Kuijpers, M. C. M., Mildau, K. A., Papadopoulos Lambidis, S., Gomes, P. W. P., Schramm, T., Steuer-Lodd, K., Stincone, P., Tayyab, S., Vitale, G. A., Wagner, B. C., Xing, S., Yazzie, M. T., Zuffa, S., de Kruijff, M., Beemelmanns, C., Link, H., Mayer, C., van der Hooft, J. J. J., Damiani, T., Pluskal, T., Dorrestein, P. C., Stanstrup, J., Schmid, R., Wang, M., Aron, A. T., Ernst, M. & Petras, D., 1 Nov 2023, ChemRxiv.

    Research output: Working paperPreprint

    Open Access