Hi all The R1rho analysis is still in development. i was not able to finish the R1rho analysis and haven't tested it very well. So thank you Edward for taking care, but I assume there will be a lot of other issues coming next. As the message, which pops up if you chose the r1rho analysis, sais, this function is still under development. There is no active development currently, so I guess not a lot will change.
Edward, if this is a bug which is easy to fix, this would be very nice. but I think it would exeed your planed involvement in NESSY. Cheers Michael -------- Original-Nachricht -------- > Datum: Wed, 27 Jun 2012 09:31:00 +0200 > Von: "Edward d\'Auvergne" <[email protected]> > An: Susmita Borthakur <[email protected]> > CC: [email protected] > Betreff: Re: [Nessy-users] R1rho dispersion fitting - handling exception > Hi, > > To reproduce the problem, would you have data for a single spin > system? I can reproduce the issue you see with the repository copy of > NESSY using some random data, but it would be useful for debugging > purposes to have a little bit of real data (if you'd like to keep it > completely secret, then you could randomise the data a little). I > would also highly recommend submitting a bug report for this at > https://gna.org/bugs/?func=additem&group=nessy. This will help other > NESSY users who encounter the same issue. > > Cheers, > > Edward > > > > > On 26 June 2012 15:19, Susmita Borthakur <[email protected]> wrote: > > Hi Edward, > > > > Thank you for your mail and also for pointing me to the right email > address. > > As I mentioned in my previous mail, I tried fitting some R1rho > > (off-resonance) data using NESSY -12.3.1 (on UBUNTU) and received error > > messages. Please see below for the details of the experimental set up > and > > the error messages: > > > > Experimental set up- > > > > Experiment Type: R1rho Dispersion (off-resonance) > > > > Heteronuclear Frequency [MHz]: > > > > 81.079 > > > > Offset [Hz]: > > > > 2000 > > > > Spin-lock time [s]: > > > > 0.02 > > 0.04 > > 0.06 > > 0.08 > > 0.1 > > > > Spin-lock power [Hz]: > > > > 0.08 > > > > Analysis- > > > > > > Execution Protocol...... > > > > > > Evaluating Datasets and Experiments: > > ================================================== > > > > > > Checking if project folder is set up... [Ok] > > > > Evaluating Experiment 1..... > > ============================================= > > > > > > Experiment 1 checked. > > > > ----------------------------------------------------------------- > > 1 experiment will be analyzed. > > ----------------------------------------------------------------- > > > > > > Experiment mode: Off resonance R1rho relaxation dispersion. > > > > Reading data....done. > > > > Starting R1rho calculation. > > > > Calculating R1rho for residue 1, Offset: 12566.3706Hz > > R1rho: 15.1 > > R1rho: 15.1 > > R1rho: 15.1 > > R1rho: 15.100 > > R1rho: -54.45 > > R1rho: 8.1449 > > R1rho: 8.1449 > > R1rho: -0.423 > > R1rho: -0.423 > > R1rho: -9.194 > > R1rho: -9.194 > > R1rho: -11.35 > > R1rho: -11.35 > > R1rho: -11.21 > > R1rho: -11.21 > > R1rho: -11.21 > > R1rho: -11.21 > > R1rho: -11.21 > > R1rho: -11.21 > > R1rho: -11.21 > > R1rho: -11.21 > > R1rho: -11.21 > > R1rho: -11.21 > > R1rho: -11.21 > > > > Calculating R1rho for residue 2, Offset: 12566.3706Hz > > R1rho: 15.1 > > R1rho: 15.1 > > R1rho: 15.1 > > R1rho: 15.100 > > R1rho: -49.77 > > R1rho: 8.6127 > > R1rho: 8.6127 > > R1rho: 0.3406 > > R1rho: 0.3406 > > R1rho: -8.368 > > R1rho: -8.368 > > R1rho: -10.65 > > R1rho: -10.65 > > R1rho: -10.51 > > R1rho: -10.51 > > R1rho: -10.50 > > R1rho: -10.50 > > R1rho: -10.50 > > R1rho: -10.50 > > R1rho: -10.50 > > R1rho: -10.50 > > R1rho: -10.50 > > > > Pooled variance for residue 1, of experiment 1 is 1.0 > > Pooled variance for residue 2, of experiment 1 is 1.0 > > > > Fitting residue 1 to model 1... > > R1: 0.01/s, R2: 15.1 1/s > > NESSY error> Unhandled exception in thread started by > > NESSY error> > > NESSY error> Traceback (most recent call last): > > NESSY error> File "/usr/share/nessy/elements/redirect.py", line 93, > in > > write > > NESSY error> > > NESSY error> self.report.SetSelection(self.max-self.pageno) > > NESSY error> File > > "/usr/lib/python2.7/dist-packages/wx-2.8-gtk2-unicode/wx/_controls.py", > line > > 3013, in SetSelection > > NESSY error> > > NESSY error> return _controls_.BookCtrlBase_SetSelection(*args, > **kwargs) > > NESSY error> File "/usr/share/nessy/func/calc.py", line 62, in > __init__ > > NESSY error> > > NESSY error> Run_spinlock(self.main, globalfit=True, onresonance=False) > > NESSY error> File "/usr/share/nessy/curvefit/calc_R1rho_models.py", > line > > 121, in __init__ > > NESSY error> > > NESSY error> self.minimise(num_exp=num_exp, model=1, > globalfit=globalfit, > > onresonance=onresonance) > > NESSY error> File "/usr/share/nessy/curvefit/calc_R1rho_models.py", > line > > 1013, in minimise > > NESSY error> > > NESSY error> fit = leastsq(fit_func[str(model)], p, args=(y, error, > field, > > offset, globalfit, self.main.report_panel, self.main.spec_freq), > full_output > > = 1, col_deriv = 1, ftol = self.main.tolerance, xtol = > > self.main.tolerance,maxfev=2000000) > > NESSY error> File > > "/usr/lib/python2.7/dist-packages/scipy/optimize/minpack.py", line 275, > in > > leastsq > > NESSY error> > > NESSY error> raise TypeError('Improper input: N=%s must not exceed M=%s' > % > > (n,m)) > > NESSY error> TypeError > > NESSY error> : > > NESSY error> Improper input: N=2 must not exceed M=1 > > NESSY error> > > > > Any help/suggestions will be highly appreciated. > > > > Best wishes, > > Susmita > > > > > > -- > > Susmita Borthakur, D.Phil. > > Postdoctoral Scholar > > Department of Physiology & Biophysics > > School of Medicine > > Case Western Reserve University > > 10900 Euclid Avenue > > Cleveland OH 44106-4970 > > tel: +1-216-368-8654 > > email: [email protected] > > > > > > _______________________________________________ > > Nessy-users mailing list > > [email protected] > > https://mail.gna.org/listinfo/nessy-users > > > > _______________________________________________ > Nessy-users mailing list > [email protected] > https://mail.gna.org/listinfo/nessy-users -- Michael Bieri Kardiologie, HTx Inselspital, Pathologie L621 Murtenstr. 31, CH-3010 Bern Switzerland Tel.: +41 31 632 13 82 Fax: +41 31 632 88 37 [email protected] www.cvrc.dkf.unibe.ch www.insel.ch NEU: FreePhone 3-fach-Flat mit kostenlosem Smartphone! 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