Hello,
I updated the fitting code a month ago to take the scaling into account, because it should, so if you have that update (and it sounds like you must) then that is a partial explanation, although hopefully the scales should be all the same in your case, otherwise this is a problem (!).
Wayne
On 25 Mar 2014, at 11:06, Ivanhoe Leung wrote:
> Dear John, Simon, Wayne,
>
> Yes I loaded Topspin processed data directly into CCPNmr Analysis. I also have problems with pseudo 3D datasets.
>
> I found a workaround by manually setting the "Scale" to be the same for all spectra under "Experiment:Spectra" before doing the T1/T2 fitting
>
> Thanks
>
> Ivan
>
> ________________________________________
> From: CcpNmr software mailing list [[log in to unmask]] on behalf of Skinner, Simon P. (Dr.) [[log in to unmask]]
> Sent: 25 March 2014 10:57
> To: [log in to unmask]
> Subject: Re: Problems with "Follow intensity changes"
>
> Dear Ivan,
>
> Did you use the procedure detailed in the CCPN tutorial to fit your data? Are peaks picked incorrectly by the algorithm in your view?
>
> Regards
>
> Simon
>
> Dr. Simon P. Skinner
> Postdoctoral Research Associate
>
> Department of Biochemistry, University of Leicester
> Henry Wellcome Building, Lancaster Road
> Leicester LE1 9HN
> United Kingdom
>
> Email: [log in to unmask]<mailto:[log in to unmask]>
>
>
>
>
> On 25 Mar 2014, at 10:01, John Kirkpatrick <[log in to unmask]<mailto:[log in to unmask]>> wrote:
>
> Hi Ivan,
>
> Perhaps you have sorted this out in the meantime, but if not - can I ask if you are directly loading Topspin-processed data into Analysis?
>
> Cheers
> John
>
> On 22/03/14 22:27, Ivanhoe Leung wrote:
> Hi all,
>
> I am using CCPNmr Analysis 2.3.1 for Windows.
>
> I ran a series of T2 spectra with different delay times using the Bruker
> HSQCT2ETF3GPSI parameter set (i.e. not the pseudo 3D version). I created a
> 'NMR series' with the appropiate delay times and then I use the 'group and
> fit peaks' function in 'follow intensity changes' to fit the T2 values.
> However, CCPNmr Analysis didn't seem to be able to follow the intensity
> changes in my spectra (I tried using 'Volume' or 'Height' options in
> 'Intensity Type') and subsequently the T2 values that I get from the fittings
> are incorrect. It seems to me that CCPNmr Analysis is extracting the peak
> intensity/height with different threshold from the different spectra and it
> does not follow 'relative peak intensity/height' in the series - is there a
> quick way to fix it?
>
> PS: When I extract the peak area/height manually from TopSpin (using relative
> intensity) and do the exponential fitting using OriginPro, the fittings are
> perfect and gave me the expected T2 values so my dataset is OK.
>
> Thanks
>
> Ivan
>
>
>
> Ivanhoe Leung | Postdoctoral Research Assistant Chemistry Research
> Laboratory Oxford University t: +44 (0) 18 6527 5659 | m: +44 (0) 77 8066
> 3177 Mansfield Road | Oxford OX1 3TA | United Kingdom
|