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Dear Gary, The two alternatives are equivalent. For good reason - peakDim.position actually uses peakDim.numAliasing and does the same calculation as you would otherwise do yourself. I thought the peakDim.value approach was a bit simpler, but it is a matter of personal taste which one you prefer. Yours, Rasmus --------------------------------------------------------------------------- Dr. Rasmus H. Fogh Email: [log in to unmask] Dept. of Biochemistry, University of Cambridge, 80 Tennis Court Road, Cambridge CB2 1GA, UK. FAX (01223)766002 On Fri, 20 Jul 2007, Gary S. Thompson wrote: > Rasmus Fogh wrote: > > >Dear Gary, > > > >On the general point the right person to ask is Wim - who is back from > >holiday next week. > > > > As you can see that was my guess as well ;-) but I thought i should send > so there was record and so anyone else with ideas could help asw im is > away... > > >In the meantime a minor tip: If you want the correct > >ppm position (which may be outside the fudamental region of the spectrum), > >you could do: > > > >point2 = self.peakDim.dataDimRef.value2point((self.peakdim.value) > >self.ppm.append(self.peakdim.value) > > > > > I did actually did test self.peakdim.value as well if my memory is right > (I think the first line above, point2 = ... doesn't do anything?) , and > this also gave the right result as well. The recipe I used below was one > taken from the docuemnetation for > > peakDim.numAliasing in the data model > > > > numAliasing > Int <cid:part1.02090406.04030402@bmb.leeds.ac.uk> 1..1 number of > aliasings. The real peak position is defined as positionPoints + > numAliasing*dataDimRef.dataDim.numPointsOrig > > > > > > and I wasn't sure which was correct and if there were any inobvious implications so i chose one (are they equivalent? is one preferred?) > > regards > gary > > > >Yours, > > > >Rasmus > > > >--------------------------------------------------------------------------- > >Dr. Rasmus H. Fogh Email: [log in to unmask] > >Dept. of Biochemistry, University of Cambridge, > >80 Tennis Court Road, Cambridge CB2 1GA, UK. FAX (01223)766002 > > > >On Fri, 20 Jul 2007, Gary S. Thompson wrote: > > > > > > > >>Dear All (most probably Wim when he comes back from hols) > >> > >>I have been exporting peaks to nmrDraw via formatConverter. However, > >>some of the peaks are aliased and they are being exported at there > >>aliased position rather than there un-aliased position. I have tracked > >>the problem to > >> > >>the line self.ppm.append(self.peakDim.dataDimRef.pointToValue(point)) in setPeakFilePeakDimInfo of class NmrDrawFormat > >> > >> > >>the following gives the correct output for me > >> > >>point2 = point + > >>self.peakDim.numAliasing*self.peakDim.dataDimRef.dataDim.numPointsOrig > >>self.ppm.append(self.peakDim.dataDimRef.pointToValue(point2)) > >> > >>now i am not saying its a bug as I can understand the behaviour I want > >>isn't always the behaviour everyone else wants (for example exporting > >>peaks to nmrDraw that are outside the spectral width would also be a > >>problem in some cases), but sometimes it is... so it would be nice if > >>it was an option > >> > >> > >>regards > >>gary > >> > >>-- > >>------------------------------------------------------------------- > >>Dr Gary Thompson > >>Astbury Centre for Structural Molecular Biology, > >>University of Leeds, Astbury Building, > >>Leeds, LS2 9JT, West-Yorkshire, UK Tel. +44-113-3433024 > >>email: [log in to unmask] Fax +44-113-2331407 > >>------------------------------------------------------------------- > >> > >> > >> > > > >. > > > > > > > > > -- > ------------------------------------------------------------------- > Dr Gary Thompson > Astbury Centre for Structural Molecular Biology, > University of Leeds, Astbury Building, > Leeds, LS2 9JT, West-Yorkshire, UK Tel. +44-113-3433024 > email: [log in to unmask] Fax +44-113-2331407 > ------------------------------------------------------------------- >