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Fig. 5 | Journal of Cheminformatics

Fig. 5

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. 5

Evaluation results for both algorithms (targeted and untargeted modes) for the “plasma sample spiked with a swab” dataset from da Silva et al.,[8] filtered to 988 data points using the “Target data length” option in Constellation’s Data Filter. Each changing unit reported in the previous study (abscissa) is shown along with how many times it was detected in the dataset using the new unit/base finding algorithms developed here (ordinate)

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