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Since the reconstruction of an sNMF style matrix is a fundamental operation that may have other uses, it didn't make sense for it to bundled with the calculation of residuals.

This is helpful, for example, if the user wants to directly compare their source matrix to its sNMF approximation.

@sbillinge sbillinge merged commit de54a43 into diffpy:john-development Aug 20, 2025
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very nice. Good thinking!

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2 participants