Showing posts with label 2d-nmr. Show all posts
Showing posts with label 2d-nmr. Show all posts

Saturday, March 29, 2008

Revision of Assignment

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.