References#

Books#

• Smith CA, Want EJ, O'Maille G, et al. "XCMS: Processing Mass Spectrometry Data for Metabolite Profiling Using Nonlinear Peak Alignment, Matching, and Identification." Analytical Chemistry, vol. 78, no. 3, 2006, pp. 779-787.

• Xia J, Sinelnikov IV, Han B, Wishart DS. "MetaboAnalyst 3.0—Making Metabolomics More Meaningful." Nucleic Acids Research, vol. 43, no. W1, 2015, pp. W251-W257.

• Pluskal T, Castillo S, Villar-Briones A, Oresic M. "MZmine 2: Modular Framework for Processing, Visualizing, and Analyzing Mass Spectrometry-Based Molecular Profile Data." BMC Bioinformatics, vol. 11, no. 1, 2010, p. 395.

Software#

• ydata-profiling

• pandas-profiling

• dataprep