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> >Group Peaks for me does not ignore manual assignments either. > >Have you got a seperate shift list for each experiment? > > Well, Group Peaks does not pick up all the assigned peaks for me (using the > default error/grad/isotope parameters). Fix posted. The same bug was also affecting the automated searching too. The problem was with peak series that didn't have an end peak at the last titration point. Hence it only affected some groups. T. ------------------------------------------------------------------------------- Dr Tim Stevens Email: [log in to unmask] Department of Biochemistry [log in to unmask] University of Cambridge Phone: +44 1223 766018 (office) 80 Tennis Court Road +44 7816 338275 (mobile) Old Addenbrooke's Site +44 1223 364613 (home) Cambridge CB2 1GA WWWeb: http://www.bio.cam.ac.uk/~tjs23 United Kingdom http://www.pantonia.co.uk ------------------------------------------------------------------------------- ------ +NH3CH(CH(CH3)OH)C(O)NHCH(CH(CH3)CH2CH3)C(O)NHCH(CH2CH2SCH3)CO2- ------- -------------------------------------------------------------------------------