Hi Andras, I was wondering if you were interested in helping out with the inversion-recovery task at https://gna.org/task/index.php?7415 ? What is your input data format, i.e. which peak list format are you using? Would it be possible to create synthetic peak lists containing with a single spin system whereby you have calculated what the peak intensities are based on your equation and some I0 and Rx parameter values? If this could be done, it could be added to the relax test suite directories and form the basis of an implementation. It could easily then be used to create a system test which checks that the fitting occurs as expected. Then implementing this should be easy. Cheers, Edward On 26 November 2014 at 16:59, Andras Boeszoermenyi <NO-REPLY.INVALID-ADDRESS@xxxxxxx> wrote:
URL: <http://gna.org/support/?3195> Summary: Fitting of saturation recovery experiment Project: relax Submitted by: andras Submitted on: Wed 26 Nov 2014 03:59:50 PM UTC Category: Feature request Priority: 5 - Normal Severity: 3 - Normal Status: None Assigned to: None Originator Email: Open/Closed: Open Discussion Lock: Any Operating System: Mac OS _______________________________________________________ Details: Hi, would it be possible to add an option to fit saturation recovery experiments to the existing 'exp' and 'inv' options in relax_fit? The formula should look like this: I(t) = I0*(1 - exp(−R1*t)) Best regards, Andras Boeszoermenyi _______________________________________________________ Reply to this item at: <http://gna.org/support/?3195> _______________________________________________ Message sent via/by Gna! http://gna.org/ _______________________________________________ relax (http://www.nmr-relax.com) This is the relax-devel mailing list relax-devel@xxxxxxx To unsubscribe from this list, get a password reminder, or change your subscription options, visit the list information page at https://mail.gna.org/listinfo/relax-devel