On my webpage http://nmrpredict.orc.univie.ac.at/csearchlite/NMRSHIFTDB_March_2008.html I have proposed a reassignment of 10 signals (out of 16 !) solely based on spectrum prediction using CSEARCH despite the original assignment has been done by means of HH-COSY, HMQC and HMBC. I am glad that this proposals has been fully integrated into NMRShiftDB, obviously after extensive verification by another program according to the protocols of my web-server.
The statement 'This was possible, because the data are open' is definitely wrong - within a more professional system such a wrong entry would never be able to step from the 'purgatory database' into the 'production database.' The detailed analysis can be found on the webpage given above.
Showing posts with label misassignment. Show all posts
Showing posts with label misassignment. Show all posts
Saturday, March 29, 2008
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