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Condensed Matter, Materials Science, cond-mat.mtrl-sci, Physics, Data Analysis, Statistics and Probability, physics.data-an
Abstract:
Orchestrating parametric fitting of multicomponent spectra at scale is an essential yet underappreciated task in high-throughput quantification of materials and chemical composition. We present a systematic approach compatible with high-performance computing infrastructures using the MapReduce model and task-based parallelization. Our approach is realized in a software, pesfit, to enable efficient generation of high-quality data annotation and online spectral analysis as demonstrated using experimental materials characterization datasets.