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Table 1 Parameter values used for aligning the 12 synthetic data sets and the real proteomic (P1 and P2) and metabolomic (M1 and M2) data sets using the RANSAC and Join aligners.

From: MZmine 2: Modular framework for processing, visualizing, and analyzing mass spectrometry-based molecular profile data

Parameter 12 synthetic data sets Proteomics data Metabolomics data
   Data set P1 Data set P2 Data set M1 Data set M2
m/z tolerance 0.05 m/z 1.5 m/z 1.5 m/z 0.03 m/z 0.025 m/z
RT tolerance after correction 0:25 02:30 2:30 00:50 00:30
RT tolerance 0:50 03:30 05:00 00:30 00:30
RANSAC iterations 5000 50000 50000 15000 15000
Minimum number of points 20% 2.00% 0.10% 20.00% 20.00%
Threshold value 4 seconds 4 seconds 15 seconds 4 seconds 4 seconds
Non-linear model yes yes no yes yes