From: Martin E. <mar...@ru...> - 2008-08-07 14:23:03
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Yes, agree, no chance to do it in a sensible way with mods (as I see now)... > -----Ursprüngliche Nachricht----- > Von: David Creasy [mailto:dc...@ma...] > Gesendet: Thursday, August 07, 2008 4:04 PM > An: Martin Eisenacher > Cc: 'Angel Pizarro'; psi...@li... > Betreff: Re: AW: [Psidev-pi-dev] Added an example for N15 labelling > > Hi Martin, Angel, > > The use of 15N (or other metabolic labelling) isn't really a > modification. We'd have to duplicate every nitrogen containing > modification in PSI-MOD - once with standard 14N and once with 15N. > And then maybe the same for 13C... > > David > > > Martin Eisenacher wrote: > >>> This seems to work pretty well (as expected!!) > >>> The interesting thing is that there are two sets of residue masses, two > >>> SpectrumIdentificationList (one for light, one for heavy) but just one > >>> ProteinDetectionList. > > At first glance I thought it would be better to have one residue mass list > > and a modification for N15 (see below). But I saw it was a bad solution. > > > > It indeed works like you modeled it, because we don't report any masses > > for DBSequences or Proteins. > > > > > >>> And (possibly confusing at first glance!) unmodified peptides with > >>> different masses like this: > >>> > >>> <Peptide id="peptide_48_1" sequenceMass="1025.481796" > > >>> <peptideSequence>STNLDWYK</peptideSequence> > >>> </Peptide> > >>> > >>> <Peptide id="peptide_53_1" sequenceMass="1036.449188"> > >>> <peptideSequence>STNLDWYK</peptideSequence> > >>> </Peptide> > >> I think this is where I come in with the mod specifications for > >> peptide results. I'll try and add this as an example to issue 35 > > It could be possible in the current schema with the CustomModification element. > > But that should be "extended" to report "elements" (N, C, O) instead > > of "locations". > > Or PSI-MOD has to include "N15 mod of amino acid X" with the respective mass > > or delta mass, which maybe there already. But that would be quite verbose. > > > > Bye > > Martin > > > > -- > David Creasy > Matrix Science > 64 Baker Street > London W1U 7GB, UK > Tel: +44 (0)20 7486 1050 > Fax: +44 (0)20 7224 1344 > > dc...@ma... > http://www.matrixscience.com > > Matrix Science Ltd. is registered in England and Wales > Company number 3533898 |