Today I have put my list of literature citations online, which are suspected to have at least one assignment error within their NMR-data.
This list has been generated by searching the string 'reassign' within the REMARK-field. Every data modification is documented by 'Operator/Date/Reason' within the remark. This long list holds 2,388 literature citations with more than 6,000 spectra, which have been reassigned either during data-input and/or during our correction cycles. For details see
http://nmrpredict.orc.univie.ac.at/csearchlite/NMR_misinterpretation.html
In the case of NMR-spectroscopy, data-curation is extremely important, because many assignments are based on comparison with reference material ..... imagine, what happens, when your reference material is wrong ? Your assignment is wrong too, but having now better statistical parameters ! Great, isnt it ?
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1 comments:
Now, it would be interesting to discuss patterns in these misassignments. Are there common mistakes? Do some information sources yield more misassigments than others (e.g. 1D versus 2D NMR)? Etc...
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