> However, the "Assign Singly Matched" which is great for speeding things up
> seems to occasionally assign overlapped peaks to just one assignment, I
> would have thought that in these cases it would give "No. of Matches" as
> greater than 1 so they would not get assigned.
>
> The strange thing is that the assignment it picks as the one to transfer
> (from the cluster) is not even the nearest one out of the cluster. I have
> attached a couple of screenshots which show this.
The function is matching the multiple source peaks to the single
unassigned target. So for each source there is only a single target within
distance. Which assignment gets transferred in such a situation is
arbitrary.
Reversing the situation to match targets to potential sources wouldn't
help because of cases where the ambiguity is reversed.
> Is there anyway to prevent this potential mis-assignment so I can use the
> Assign Singly Matched feature with confidence?
I will think about strategies invloving conservatively matching both
source to targets and target to sources.
In the mean time, increase the distance threshold in small steps.
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- -------
-------------------------------------------------------------------------------
|