URL: <http://gna.org/bugs/?24675>
Summary: superfluous dispersion curves for missing data Project: relax Submitted by: padrta Submitted on: Tue 17 May 2016 10:25:10 AM UTC Category: relax's source code Specific analysis category: Relaxation dispersion Priority: 5 - Normal Severity: 3 - Normal Status: None Assigned to: None Originator Name: Originator Email: Open/Closed: Open Release: 4.0.2 Discussion Lock: Any Operating System: All systems _______________________________________________________ Details: This is direct follow-up of bug #24601. The missing data are now handled correctly but the resulting grace plots for individual models (LM63, CR72...) still contain interpolated dispersion curves for missing data. These curves have no experimental points and their placement along y-axis (R2eff) is generally incorrect as their r20 is unknown. r20s for missing data sometimes end up at their upper bound (200 rad/s) but I think it's more correct to force them to 0 rad/s or better exclude them from the analysis, if possible. Included minimal script and data are the same as for bug #24601. _______________________________________________________ File Attachments: ------------------------------------------------------- Date: Tue 17 May 2016 10:25:11 AM UTC Name: relax_test.zip Size: 18kB By: padrta <http://gna.org/bugs/download.php?file_id=27407> _______________________________________________________ Reply to this item at: <http://gna.org/bugs/?24675> _______________________________________________ Message sent via/by Gna! http://gna.org/ _______________________________________________ relax (http://www.nmr-relax.com) This is the relax-devel mailing list relax-devel@gna.org 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