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Table 4 Common patters for using the moiety_modeling as a command-line tool

From: Moiety modeling framework for deriving moiety abundances from mass spectrometry measured isotopologues

Command

Description

Example

modeling

Perform model optimization

% python3 –m moiety_modeling modeling --models = models.json --datasets = dataset.json --optimizations = optimization_settings.json

analyze

Analyze the optimization results

% python3 –m moiety_modeling analyze optimizations --a optimizationPaths.txt

plot

Plot the distribution of calculated moiety modeling parameters.

% python3 –m moiety_modeling plot moiety analysisResults.json