The value of universally available raw NMR data for transparency, reproducibility, and integrity in natural product research

James B. McAlpine, Shao Nong Chen, Andrei Kutateladze, John B. Macmillan, Giovanni Appendino, Andersson Barison, Mehdi A. Beniddir, Maique W. Biavatti, Stefan Bluml, Asmaa Boufridi, Mark S. Butler, Robert J. Capon, Young H. Choi, David Coppage, Phillip Crews, Michael T. Crimmins, Marie Csete, Pradeep Dewapriya, Joseph M. Egan, Mary J. GarsonGrégory Genta-Jouve, William H. Gerwick, Harald Gross, Mary Kay Harper, Precilia Hermanto, James M. Hook, Luke Hunter, Damien Jeannerat, Nai Yun Ji, Tyler A. Johnson, David G.I. Kingston, Hiroyuki Koshino, Hsiau Wei Lee, Guy Lewin, Jie Li, Roger G. Linington, Miaomiao Liu, Kerry L. McPhail, Tadeusz F. Molinski, Bradley S. Moore, Joo Won Nam, Ram P. Neupane, Matthias Niemitz, Jean Marc Nuzillard, Nicholas H. Oberlies, Fernanda M.M. Ocampos, Guohui Pan, Ronald J. Quinn, D. Sai Reddy, Jean Hugues Renault, José Rivera-Chávez, Wolfgang Robien, Carla M. Saunders, Thomas J. Schmidt, Christoph Seger, Ben Shen, Christoph Steinbeck, Hermann Stuppner, Sonja Sturm, Orazio Taglialatela-Scafati, Dean J. Tantillo, Robert Verpoorte, Bin Gui Wang, Craig M. Williams, Philip G. Williams, Julien Wist, Jian Min Yue, Chen Zhang, Zhengren Xu, Charlotte Simmler, David C. Lankin, Jonathan Bisson, Guido F. Pauli

Research output: Contribution to journalReview articlepeer-review

71 Scopus citations


Covering: up to 2018 With contributions from the global natural product (NP) research community, and continuing the Raw Data Initiative, this review collects a comprehensive demonstration of the immense scientific value of disseminating raw nuclear magnetic resonance (NMR) data, independently of, and in parallel with, classical publishing outlets. A comprehensive compilation of historic to present-day cases as well as contemporary and future applications show that addressing the urgent need for a repository of publicly accessible raw NMR data has the potential to transform natural products (NPs) and associated fields of chemical and biomedical research. The call for advancing open sharing mechanisms for raw data is intended to enhance the transparency of experimental protocols, augment the reproducibility of reported outcomes, including biological studies, become a regular component of responsible research, and thereby enrich the integrity of NP research and related fields.

Original languageEnglish (US)
Pages (from-to)35-107
Number of pages73
JournalNatural Product Reports
Issue number1
StatePublished - Jan 2019
Externally publishedYes

ASJC Scopus subject areas

  • Biochemistry
  • Drug Discovery
  • Organic Chemistry


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