Structures in more than 150 papers may be wrong thanks to NMR coding glitch

By Katrina Krämer2019-10-18T10:15:00

An image showing lines of code on a computer screen

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Chemical shift-calculating bug casts doubt on studies ranging from natural product discovery to biosynthesis

A piece of code that calculates nuclear magnetic resonance signals has been discovered to be getting things wrong depending on the operating system used.¹ The glitch could affect structure assignments in more than 150 papers, calling their conclusions into question.