[bug #24675] Superfluous dispersion curves for missing data.

[Edward d Auvergne]

Update of bug #24675 (project relax):

  Status: In Progress => Wont Fix   
 Open/Closed:Open => Closed 
 Summary: superfluous dispersion curves for missing data =>
Superfluous dispersion curves for missing data.

___

Follow-up Comment #3:

For discussions, see the mailing list thread at: 
http://thread.gmane.org/gmane.science.nmr.relax.user/1886/focus=1890.  This is
actually a deliberate feature to help understand why the data might be
missing.

___

Reply to this item at:

  

___
  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

[bug #24675] superfluous dispersion curves for missing data

[Edward d Auvergne]

Follow-up Comment #2, bug #24675 (project relax):

Attaching a PDF file showing the dispersion curves for the CR72 model for
residue 134.

(file #27466)
___

Additional Item Attachment:

File name: disp_CKIRD_134_N.pdf   Size:24 KB


___

Reply to this item at:

  

___
  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

[bug #24675] superfluous dispersion curves for missing data

[Petr Padrta]

URL:
  

 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



___

Reply to this item at:

  

___
  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