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Hi Wayne, so simple... I missed that option when I was making the plots! Thank you! Aldino -----Mensagem Original----- From: Wayne Boucher Sent: Wednesday, February 01, 2012 9:58 AM To: [log in to unmask] Subject: Re: Follow shift changes Hello, Right mouse click on any table in Analysis has an "Export" option, which allows comma- or tab-separated export of whatever columns you want. Wayne On Wed, 1 Feb 2012, Aldino wrote: > Hi again, > > just one more question: how do I export all the information on the "Peak > Groups & Analysis" table (for instance to use in exel)? > I used the "Export Shifts" tool but it does only that... it exports the > shifts, not the analysis (Kds and so on...). > > > Cheers, > Aldino > > > -----Mensagem Original----- From: Aldino > Sent: Tuesday, January 31, 2012 12:17 PM > To: CcpNmr software mailing list > Subject: Re: Follow shift changes > > Hi Wayne, > > I will try that too along with Brian's suggestion to see if I can reduce > the > time required. > That may be one of the reasons why it is taking so long... I have > increased > the max ppm jump in proton to 0.1 instead of the default 0.05... > Futhermore > I think I dont need the default 0.5 in nitrogen. > I'll narrow the maximum limts! > > Thank you! > > Cheers, > Aldino > > -----Mensagem Original----- From: Wayne Boucher > Sent: Tuesday, January 31, 2012 12:09 PM > To: [log in to unmask] > Subject: Re: Follow shift changes > > Hello, > > Tim also suggests: > > "Setting the "Max Step Size" in the Isotope Parameters section can help > considerably; this should not be too much larger than the maximum ppm jump > along the titration trajectory (for a particular isotope), and will thus > vary according to how many experiments are present etc. If the step size > is to big the number of points that Analysis has to check can grow very > large." > > Wayne > > On Tue, 31 Jan 2012, Aldino wrote: > >> Hi Brian, >> >> thank you for your reply. >> I will try to propagate as many assignments as I can to see if it goes >> faster! >> Unfortunately, this is a rather slow process if you need to process >> several >> data sets (as it is my case)... >> >> Again, thank you for your advice. >> >> Cheers, >> Aldino >> >> >> >> -----Mensagem Original----- From: Brian Smith >> Sent: Tuesday, January 31, 2012 11:50 AM >> To: [log in to unmask] >> Subject: Re: Follow shift changes >> >> >> In our experience, that's probably not unusual. Follow shift changes is >> doing quite a lot of stuff under the hood - it's trying to work out where >> your peaks are moving to as it goes - so can be a bit slow. >> >> We have found that you can help it a lot by picking and propagating >> assignments for as many peaks as you can first - after all you're >> probably >> going to go and inspect the results afterwards, and it's usually easier >> to >> do things right first time rather than mess about with deleting wrongly >> picked peaks and disentangling mixed up assignments. >> >> Drawing newly picked peaks is a slow thing, so it may go faster if you do >> this with the spectrum not displayed. >> >> 1.3Ghz is on the slow side for getting decent performance out of analysis >> in my experience. >> >> On Tue, 31 Jan 2012, Aldino wrote: >> >>> I am running the “Follow Shift Changes” module of analysis (2.1.5) in a >>> data set with 7 >>> spectra with about 160 peaks each (concentration titration). >>> >>> Apparently it is running OK but I was just wondering: is it normal to >>> take >>> a LOT of >>> time? It has passed 9h and the progress bar is only at 57%.... >>> >>> If everything is OK this is not very handy... If I have to change >>> something >>> or if I >>> have different data sets it will take me forever! >>> >>> >>> >>> Ps.: I’m running CCPN under Linux (Ubuntu) in a dual core @1.3GHz with >>> 2GB >>> RAM >>> >> >> Dr. Brian O. Smith --------------------------- Brian Smith at glasgow ac >> uk >> Institute of Molecular, Cell and Systems Biology & School of Life >> Sciences, >> College of Medical, Veterinary & Life Sciences, >> Joseph Black Building, University of Glasgow, Glasgow G12 8QQ, UK. >> Tel: 0141 330 5167/6459/3089 Fax: 0141 330 4600 >> ---------------------------------------------------------------------- >> The University of Glasgow, charity number SC004401