Papers and Peer Reviewed Publications

There is an increasing focus on the part of academic institutions, funding agencies, and publishers, if not researchers themselves, on preservation and sharing of research data. Motivations for sharing include research integrity, replicability, and reuse.

The Whittaker smoother, a special case of penalized least square, is a multipurpose algorithm that has proven to be very useful in many scientific fields, including image processing, chromatography, and optical spectroscopy.

Even though NMR has found countless applications in the field of small molecule characterization, there is no standard file format available for the NMR data relevant to structure characterization of small molecules.