From: Steffen N. <sne...@ip...> - 2010-04-08 09:25:53
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Hi, we currently have for <Precursor> the cvParam Mapping Rules: Path /TraML/TransitionList/Transition/Precursor MUST supply term MS:1000827 (isolation window target m/z) only once MAY supply term MS:1000041 (charge state) only once Path /TraML/TargetList/TargetIncludeList/Target/Precursor MUST supply term MS:1000827 (isolation window target m/z) only once MAY supply term MS:1000041 (charge state) only once Path /TraML/TargetList/TargetExcludeList/Target/Precursor MUST supply term MS:1000827 (isolation window target m/z) only once MAY supply term MS:1000041 (charge state) only once 1) We could just require one or more "isolation window attribute"s http://www.ebi.ac.uk/ontology-lookup/browse.do?ontName=MS&termId=MS%3A1000792 which would also allow to put the lower/upper offset here. Those offsets can be important if a too narrow window looses too much transmission, leading to poor ion intensities. We'd lose the validation that someone might supply only those lower/upper offsets, and forget the actual "target m/z". How'd we handle the "part_of MS:1000441 ! scan" in that case ? Would that be a problem ? 2) While I'm at it, we could allow "ion selection attribute"s instead of only "charge state", because that would also allow the (somewhat obscure) term "possible charge state": http://www.ebi.ac.uk/ontology-lookup/browse.do?ontName=MS&termId=MS%3A1000455 I'd opt in favor of 1) and against 2). Yours, Steffen [Term] id: MS:1000792 name: isolation window attribute def: "Isolation window parameter." [PSI:MS] is_a: MS:1000547 ! object attribute relationship: part_of MS:1000441 ! scan [Term] id: MS:1000455 name: ion selection attribute def: "Ion selection properties that are associated with a value." [PSI:MS] is_a: MS:1000547 ! object attribute relationship: part_of MS:1000442 ! spectrum -- IPB Halle AG Massenspektrometrie & Bioinformatik Dr. Steffen Neumann http://www.IPB-Halle.DE Weinberg 3 http://msbi.bic-gh.de 06120 Halle Tel. +49 (0) 345 5582 - 1470 +49 (0) 345 5582 - 0 sneumann(at)IPB-Halle.DE Fax. +49 (0) 345 5582 - 1409 |
From: Fredrik L. <fre...@im...> - 2010-04-08 15:09:39
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Hi Steffen, Wouldn't it do to add a MAY supply term MS:1000792 (isolation window attribute) (without restrictions on number of occurencies) in addition to the existing rules? Then isolation target m/z is still required, and the other terms can be added in when needed. Fredrik Steffen Neumann skrev: > Hi, > > we currently have for <Precursor> the cvParam Mapping Rules: > > Path /TraML/TransitionList/Transition/Precursor > MUST supply term MS:1000827 (isolation window target m/z) only once > MAY supply term MS:1000041 (charge state) only once > Path /TraML/TargetList/TargetIncludeList/Target/Precursor > MUST supply term MS:1000827 (isolation window target m/z) only once > MAY supply term MS:1000041 (charge state) only once > Path /TraML/TargetList/TargetExcludeList/Target/Precursor > MUST supply term MS:1000827 (isolation window target m/z) only once > MAY supply term MS:1000041 (charge state) only once > > 1) We could just require one or more "isolation window attribute"s > http://www.ebi.ac.uk/ontology-lookup/browse.do?ontName=MS&termId=MS%3A1000792 > which would also allow to put the lower/upper offset here. > Those offsets can be important if a too narrow window > looses too much transmission, leading to poor ion intensities. > > We'd lose the validation that someone might supply > only those lower/upper offsets, and forget the actual "target m/z". > > How'd we handle the "part_of MS:1000441 ! scan" in that case ? > Would that be a problem ? > > > [Term] > id: MS:1000792 > name: isolation window attribute > def: "Isolation window parameter." [PSI:MS] > is_a: MS:1000547 ! object attribute > relationship: part_of MS:1000441 ! scan > > [Term] > id: MS:1000455 > name: ion selection attribute > def: "Ion selection properties that are associated with a value." [PSI:MS] > is_a: MS:1000547 ! object attribute > relationship: part_of MS:1000442 ! spectrum > > > |
From: Steffen N. <sne...@ip...> - 2010-04-08 15:14:49
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Am Thursday, den 08.04.2010, 16:53 +0200 schrieb Fredrik Levander: > MAY supply term MS:1000792 (isolation window attribute) (without > restrictions on number of occurencies) Sounds good. I was afraid of cluttering the mappings. > and the other terms can be added in when needed. Yes, I don't think there is currently a need for "ion selection attribute"s. Yours, Steffen -- IPB Halle AG Massenspektrometrie & Bioinformatik Dr. Steffen Neumann http://www.IPB-Halle.DE Weinberg 3 http://msbi.bic-gh.de 06120 Halle Tel. +49 (0) 345 5582 - 1470 +49 (0) 345 5582 - 0 sneumann(at)IPB-Halle.DE Fax. +49 (0) 345 5582 - 1409 |