mailFwd: Over-fit spin deselection error


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Posted by Simonyan, Lusine on July 24, 2013 - 02:47:


---------- Forwarded message ----------
From: Simonyan, Lusine <lusine.simonyan.948@xxxxxxxxxxx>
Date: Tue, Jul 23, 2013 at 9:52 AM
Subject: Over-fit spin deselection error
To: relax-announce@xxxxxxx


Hi,
I am trying to analyse ssNOE, R1, and R2 data for 600 and 800MHz using relax, but for some reason I get a relax warning looking like this:

Over-fit spin deselection:
RelaxWarning: The spin '#hRGS4:4@N' has been deselected because of insufficient data.
RelaxWarning: The spin '#hRGS4:5@N' has been deselected because of insufficient data.
RelaxWarning: The spin '#hRGS4:6@N' has been deselected because of insufficient data.
RelaxWarning: The spin '#hRGS4:7@N' has been deselected because of insufficient data.
RelaxWarning: The spin '#hRGS4:8@N' has been deselected because of insufficient data.
RelaxWarning: The spin '#hRGS4:9@N' has been deselected because of insufficient data.
RelaxWarning: The spin '#hRGS4:10@N' has been deselected because of insufficient data.
RelaxWarning: The spin '#hRGS4:11@N' has been deselected because of insufficient data.
RelaxWarning: The spin '#hRGS4:12@N' has been deselected because of insufficient data.
RelaxWarning: The spin '#hRGS4:13@N' has been deselected because of insufficient data.
RelaxWarning: The spin '#hRGS4:14@N' has been deselected because of insufficient data.
RelaxWarning: The spin '#hRGS4:15@N' has been deselected because of insufficient data.
RelaxWarning: The spin '#hRGS4:16@N' has been deselected because of insufficient data.
RelaxWarning: The spin '#hRGS4:17@N' has been deselected because of insufficient data.
RelaxWarning: The spin '#hRGS4:18@N' has been deselected because of insufficient data.
RelaxWarning: The spin '#hRGS4:19@N' has been deselected because of insufficient data.
RelaxWarning: The spin '#hRGS4:20@N' has been deselected because of insufficient data.
RelaxWarning: The spin '#hRGS4:21@N' has been deselected because of insufficient data.
RelaxWarning: The spin '#hRGS4:22@N' has been deselected because of insufficient data.
RelaxWarning: The spin '#hRGS4:23@N' has been deselected because of insufficient data.
RelaxWarning: The spin '#hRGS4:24@N' has been deselected because of insufficient data.
RelaxWarning: The spin '#hRGS4:25@N' has been deselected because of insufficient data.
RelaxWarning: The spin '#hRGS4:26@N' has been deselected because of insufficient data.
RelaxWarning: The spin '#hRGS4:27@N' has been deselected because of insufficient data.
RelaxWarning: The spin '#hRGS4:28@N' has been deselected because of insufficient data.
RelaxWarning: The spin '#hRGS4:29@N' has been deselected because of insufficient data.
RelaxWarning: The spin '#hRGS4:30@N' has been deselected because of insufficient data.
RelaxWarning: The spin '#hRGS4:31@N' has been deselected because of insufficient data.
RelaxWarning: The spin '#hRGS4:32@N' has been deselected because of insufficient data.
RelaxWarning: The spin '#hRGS4:33@N' has been deselected because of insufficient data.
RelaxWarning: The spin '#hRGS4:34@N' has been deselected because of insufficient data.
RelaxWarning: The spin '#hRGS4:35@N' has been deselected because of insufficient data.
RelaxWarning: The spin '#hRGS4:36@N' has been deselected because of insufficient data.
RelaxWarning: The spin '#hRGS4:37@N' has been deselected because of insufficient data.
RelaxWarning: The spin '#hRGS4:38@N' has been deselected because of insufficient data.
RelaxWarning: The spin '#hRGS4:39@N' has been deselected because of insufficient data.
RelaxWarning: The spin '#hRGS4:40@N' has been deselected because of insufficient data.
RelaxWarning: The spin '#hRGS4:41@N' has been deselected because of insufficient data.
RelaxWarning: The spin '#hRGS4:42@N' has been deselected because of insufficient data.
RelaxWarning: The spin '#hRGS4:43@N' has been deselected because of insufficient data.
RelaxWarning: The spin '#hRGS4:44@N' has been deselected because of insufficient data.
RelaxWarning: The spin '#hRGS4:45@N' has been deselected because of insufficient data.
RelaxWarning: The spin '#hRGS4:48@N' has been deselected because of insufficient data.
RelaxWarning: The spin '#hRGS4:51@N' has been deselected because of insufficient data.
RelaxWarning: The spin '#hRGS4:52@N' has been deselected because of insufficient data.
RelaxWarning: The spin '#hRGS4:53@N' has been deselected because of insufficient data.
RelaxWarning: The spin '#hRGS4:54@N' has been deselected because of insufficient data.
RelaxWarning: The spin '#hRGS4:55@N' has been deselected because of insufficient data.
RelaxWarning: The spin '#hRGS4:56@N' has been deselected because of insufficient data.
RelaxWarning: The spin '#hRGS4:57@N' has been deselected because of insufficient data.
RelaxWarning: The spin '#hRGS4:60@N' has been deselected because of insufficient data.
RelaxWarning: The spin '#hRGS4:61@N' has been deselected because of insufficient data.
RelaxWarning: The spin '#hRGS4:62@N' has been deselected because of insufficient data.
RelaxWarning: The spin '#hRGS4:64@N' has been deselected because of insufficient data.
RelaxWarning: The spin '#hRGS4:65@N' has been deselected because of insufficient data.
RelaxWarning: The spin '#hRGS4:66@N' has been deselected because of insufficient data.
RelaxWarning: The spin '#hRGS4:67@N' has been deselected because of insufficient data.
RelaxWarning: The spin '#hRGS4:68@N' has been deselected because of insufficient data.
RelaxWarning: The spin '#hRGS4:69@N' has been deselected because of insufficient data.
RelaxWarning: The spin '#hRGS4:70@N' has been deselected because of insufficient data.
RelaxWarning: The spin '#hRGS4:71@N' has been deselected because of insufficient data.
RelaxWarning: The spin '#hRGS4:72@N' has been deselected because of insufficient data.
RelaxWarning: The spin '#hRGS4:73@N' has been deselected because of insufficient data.
RelaxWarning: The spin '#hRGS4:74@N' has been deselected because of insufficient data.
RelaxWarning: The spin '#hRGS4:75@N' has been deselected because of insufficient data.
RelaxWarning: The spin '#hRGS4:76@N' has been deselected because of insufficient data.
RelaxWarning: The spin '#hRGS4:77@N' has been deselected because of insufficient data.
RelaxWarning: The spin '#hRGS4:78@N' has been deselected because of insufficient data.
RelaxWarning: The spin '#hRGS4:79@N' has been deselected because of insufficient data.
RelaxWarning: The spin '#hRGS4:81@N' has been deselected because of insufficient data.
RelaxWarning: The spin '#hRGS4:82@N' has been deselected because of insufficient data.
RelaxWarning: The spin '#hRGS4:83@N' has been deselected because of insufficient data.
RelaxWarning: The spin '#hRGS4:84@N' has been deselected because of insufficient data.
RelaxWarning: The spin '#hRGS4:85@N' has been deselected because of insufficient data.
RelaxWarning: The spin '#hRGS4:86@N' has been deselected because of insufficient data.
RelaxWarning: The spin '#hRGS4:87@N' has been deselected because of insufficient data.
RelaxWarning: The spin '#hRGS4:88@N' has been deselected because of insufficient data.
RelaxWarning: The spin '#hRGS4:89@N' has been deselected because of insufficient data.
RelaxWarning: The spin '#hRGS4:90@N' has been deselected because of insufficient data.
RelaxWarning: The spin '#hRGS4:91@N' has been deselected because of insufficient data.
RelaxWarning: The spin '#hRGS4:92@N' has been deselected because of insufficient data.
RelaxWarning: The spin '#hRGS4:93@N' has been deselected because of insufficient data.
RelaxWarning: The spin '#hRGS4:94@N' has been deselected because of insufficient data.
RelaxWarning: The spin '#hRGS4:95@N' has been deselected because of insufficient data.
RelaxWarning: The spin '#hRGS4:96@N' has been deselected because of insufficient data.
RelaxWarning: The spin '#hRGS4:97@N' has been deselected because of insufficient data.
RelaxWarning: The spin '#hRGS4:99@N' has been deselected because of insufficient data.
RelaxWarning: The spin '#hRGS4:100@N' has been deselected because of insufficient data.
RelaxWarning: The spin '#hRGS4:101@N' has been deselected because of insufficient data.
RelaxWarning: The spin '#hRGS4:102@N' has been deselected because of insufficient data.
RelaxWarning: The spin '#hRGS4:103@N' has been deselected because of insufficient data.
RelaxWarning: The spin '#hRGS4:104@N' has been deselected because of insufficient data.
RelaxWarning: The spin '#hRGS4:105@N' has been deselected because of insufficient data.
RelaxWarning: The spin '#hRGS4:106@N' has been deselected because of insufficient data.
RelaxWarning: The spin '#hRGS4:107@N' has been deselected because of insufficient data.
RelaxWarning: The spin '#hRGS4:108@N' has been deselected because of insufficient data.
RelaxWarning: The spin '#hRGS4:109@N' has been deselected because of insufficient data.
RelaxWarning: The spin '#hRGS4:110@N' has been deselected because of insufficient data.
RelaxWarning: The spin '#hRGS4:111@N' has been deselected because of insufficient data.
RelaxWarning: The spin '#hRGS4:112@N' has been deselected because of insufficient data.
RelaxWarning: The spin '#hRGS4:113@N' has been deselected because of insufficient data.
RelaxWarning: The spin '#hRGS4:114@N' has been deselected because of insufficient data.
RelaxWarning: The spin '#hRGS4:115@N' has been deselected because of insufficient data.
RelaxWarning: The spin '#hRGS4:116@N' has been deselected because of insufficient data.
RelaxWarning: The spin '#hRGS4:117@N' has been deselected because of insufficient data.
RelaxWarning: The spin '#hRGS4:118@N' has been deselected because of insufficient data.
RelaxWarning: The spin '#hRGS4:119@N' has been deselected because of insufficient data.
RelaxWarning: The spin '#hRGS4:120@N' has been deselected because of insufficient data.
RelaxWarning: The spin '#hRGS4:121@N' has been deselected because of insufficient data.
RelaxWarning: The spin '#hRGS4:122@N' has been deselected because of insufficient data.
RelaxWarning: The spin '#hRGS4:123@N' has been deselected because of insufficient data.
RelaxWarning: The spin '#hRGS4:124@N' has been deselected because of insufficient data.
RelaxWarning: The spin '#hRGS4:125@N' has been deselected because of insufficient data.
RelaxWarning: The spin '#hRGS4:126@N' has been deselected because of insufficient data.
RelaxWarning: The spin '#hRGS4:127@N' has been deselected because of insufficient data.
RelaxWarning: The spin '#hRGS4:128@N' has been deselected because of insufficient data.
RelaxWarning: The spin '#hRGS4:129@N' has been deselected because of insufficient data.
RelaxWarning: The spin '#hRGS4:130@N' has been deselected because of insufficient data.
RelaxWarning: The spin '#hRGS4:131@N' has been deselected because of insufficient data.
RelaxWarning: The spin '#hRGS4:132@N' has been deselected because of insufficient data.

relax> value.write(param='noe', file='noe.600.out', dir='/home/crowlab/NMR_data/
hRGS4_NMR/Dynamics/Dynamics_Agnes600_Feb2013/ssNOE_hRGS4_Feb2013/nv_data', scaling=1.0, comment=None, bc=False, force=True)
Opening the file '/home/crowlab/NMR_data/hRGS4_NMR/Dynamics/Dynamics_Agnes600_Feb2013/ssNOE_hRGS4_Feb2013/nv_data/noe.600.out' for writing.

relax> results.write(file='results', dir='/home/crowlab/NMR_data/hRGS4_NMR/Dynamics/Dynamics_Agnes600_Feb2013/ssNOE_hRGS4_Feb2013/nv_data', compress_type=1, force=True)
Opening the file '/home/crowlab/NMR_data/hRGS4_NMR/Dynamics/Dynamics_Agnes600_Feb2013/ssNOE_hRGS4_Feb2013/nv_data/results.bz2' for writing.

relax> grace.write(x_data_type='spin', y_data_type='ref', spin_id=None, plot_data='value', file='ref.agr', dir='/home/crowlab/NMR_data/hRGS4_NMR/Dynamics/Dynamics_Agnes600_Feb2013/ssNOE_hRGS4_Feb2013/nv_data/grace', force=True, norm=False)
Opening the file '/home/crowlab/NMR_data/hRGS4_NMR/Dynamics/Dynamics_Agnes600_Feb2013/ssNOE_hRGS4_Feb2013/nv_data/grace/ref.agr' for writing.
RelaxWarning: No data could be found, creating an empty file.

relax> grace.write(x_data_type='spin', y_data_type='sat', spin_id=None, plot_data='value', file='sat.agr', dir='/home/crowlab/NMR_data/hRGS4_NMR/Dynamics/Dynamics_Agnes600_Feb2013/ssNOE_hRGS4_Feb2013/nv_data/grace', force=True, norm=False)
Opening the file '/home/crowlab/NMR_data/hRGS4_NMR/Dynamics/Dynamics_Agnes600_Feb2013/ssNOE_hRGS4_Feb2013/nv_data/grace/sat.agr' for writing.
RelaxWarning: No data could be found, creating an empty file.

I have tried modifying the pdb file, but still I get the same warning no matter. I don't know how to fix this problem, please help me if it is possible. I also went through the archive messages and I saw someone else was encountering with similar problem and the reply message mentioned that the latest version of relax has solved the bug. However, I am using the latest version of relax, and still come across with the RelaxWarning.

Thanks,
Lusine Simonyan
Biochemistry Undergraduate Student,
California State University, Northridge.



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