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Data Science (DS) is an interdisciplinary topic that is applicable to many domains. In this preliminary investigation, we use caselet, a mini-version of a case study, as a learning tool to allow students to practice data science problem solving (DSPS). Using a dataset collected from a real-world classroom, we performed correlation analysis to reveal the structure of cognition and metacognition processes. We also explored the similarity of different DS knowledge components based on students’ performance. In addition, we built a predictive model to characterize the relationship between metacognition, cognition, and learning gain.