URL: <http://gna.org/bugs/?23244> Summary: missing one fitting parameter in relaxation curve fitting report Project: relax Submitted by: xyshi Submitted on: Tue 03 Feb 2015 11:42:56 PM UTC Category: GUI Specific analysis category: None Priority: 5 - Normal Severity: 3 - Normal Status: None Assigned to: None Originator Name: Originator Email: Open/Closed: Open Release: 3.3.5 Discussion Lock: Any Operating System: None _______________________________________________________ Details: Hi, I am working on R1 relaxation curve fitting with three parameter model and notice a potential bug with relax 3.3.5 (relax-GUI). The final results in the folder 'grace' and 'rl.#.out' files list the final R1 and I0 and associated errors. However, the other parameter, I(inf) and error is not reported in these files. Although one can find the I(inf) values by looking through the output in The Relax Controller, there is no error information. This is a bug that cause severe inconvenience. Any idea to how to fix this? In addition, it would also be useful if the xmgrace plot of intensities.agr containing the final fitted curve instead just scatter plot of each data point. Thanks. _______________________________________________________ Reply to this item at: <http://gna.org/bugs/?23244> _______________________________________________ Message sent via/by Gna! http://gna.org/