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Fig. 6 | Journal of Cheminformatics

Fig. 6

From: New algorithms demonstrate untargeted detection of chemically meaningful changing units and formula assignment for HRMS data of polymeric mixtures in the open-source constellation web application

Fig. 6

Algorithm scaling, a with different data set size, b with increasing length of the potential unit lists; both indicate a better performance for algorithm II. c Comparison between the number of units found by both algorithms with a constant unit list (127 entries) and increasing data set size, showing a smaller number of units for algorithm I due to consideration of local repetition, d 3D plot of calculation time in dependency of data set size and unit list length

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