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Abstract:
ProFit, a previously developed fitting tool for 2D JRPRES spectra was revised and certain drawback of the original implementation were tackled. Measured 2D JPRESS macromolecular baseline signals, surface splines to handle residual baseline distortions and a 2D model-free lineshape based on regularized splines were incorporated into ProFit. The results were compared between the recent and the revised version and it is shown that the inclusion of the these additional features together with a fine-tuned handling of prior knowledge leads to significantly better fit results.
