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exit
</source>
Let us inspect just one file date. Open in a text browser "R1_600".
It says
<source lang="text">
Residue R1 Error
1
2
3
4
5
6
7
8
9
10
11
12 1.58 0.06
13 1.23 0.05
14 1.48 0.1
15 2.06 0.04
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</source>
This will probably not work. The file does not contain the same separators in the file. <br>
But let us try!
Add the following line to "sam_script.py".
<source lang="python">
relax_data.read(ri_id='R1_600', ri_type='R1', frq=599.719*1e6, file='R1_600', res_num_col=1, data_col=2, error_col=3)
</source>
Now we are just going to try this.
<source lang="bash">
relax sam_script.py
</source>
That gives some output in the command as this.
<source lang="text">
RelaxWarning: The sequence data in the line ['Residue', 'R1', 'Error'] is invalid, the residue number data 'Residue' is invalid.
RelaxWarning: The sequence data in the line ['1'] is invalid, the data is missing.
RelaxWarning: The sequence data in the line ['2'] is invalid, the data is missing.
RelaxWarning: The sequence data in the line ['3'] is invalid, the data is missing.
RelaxWarning: The sequence data in the line ['4'] is invalid, the data is missing.
RelaxWarning: The sequence data in the line ['5'] is invalid, the data is missing.
RelaxWarning: The sequence data in the line ['6'] is invalid, the data is missing.
RelaxWarning: The sequence data in the line ['7'] is invalid, the data is missing.
RelaxWarning: The sequence data in the line ['8'] is invalid, the data is missing.
RelaxWarning: The sequence data in the line ['9'] is invalid, the data is missing.
RelaxWarning: The sequence data in the line ['10'] is invalid, the data is missing.
RelaxWarning: The sequence data in the line ['11'] is invalid, the data is missing.
RelaxWarning: The sequence data in the line ['17'] is invalid, the data is missing.
RelaxWarning: The sequence data in the line ['18'] is invalid, the data is missing.
RelaxWarning: The sequence data in the line ['19'] is invalid, the data is missing.
RelaxWarning: The sequence data in the line ['20'] is invalid, the data is missing.
RelaxWarning: The sequence data in the line ['21'] is invalid, the data is missing.
RelaxWarning: The sequence data in the line ['22'] is invalid, the data is missing.
RelaxWarning: The sequence data in the line ['23'] is invalid, the data is missing.
RelaxWarning: The sequence data in the line ['24'] is invalid, the data is missing.
RelaxWarning: The sequence data in the line ['25'] is invalid, the data is missing.
RelaxWarning: The sequence data in the line ['26'] is invalid, the data is missing.
RelaxWarning: The sequence data in the line ['27'] is invalid, the data is missing.
RelaxWarning: The sequence data in the line ['28'] is invalid, the data is missing.
RelaxWarning: The sequence data in the line ['29'] is invalid, the data is missing.
RelaxWarning: The sequence data in the line ['30'] is invalid, the data is missing.
RelaxWarning: The sequence data in the line ['31'] is invalid, the data is missing.
RelaxWarning: The sequence data in the line ['32'] is invalid, the data is missing.
RelaxWarning: The sequence data in the line ['33'] is invalid, the data is missing.
RelaxWarning: The sequence data in the line ['34'] is invalid, the data is missing.
RelaxWarning: The sequence data in the line ['35'] is invalid, the data is missing.
RelaxWarning: The sequence data in the line ['36'] is invalid, the data is missing.
RelaxWarning: The sequence data in the line ['37'] is invalid, the data is missing.
RelaxWarning: The sequence data in the line ['38'] is invalid, the data is missing.
RelaxWarning: The sequence data in the line ['39'] is invalid, the data is missing.
RelaxWarning: The sequence data in the line ['40'] is invalid, the data is missing.
RelaxWarning: The sequence data in the line ['41'] is invalid, the data is missing.
RelaxWarning: The sequence data in the line ['42'] is invalid, the data is missing.
RelaxWarning: The sequence data in the line ['43'] is invalid, the data is missing.
RelaxWarning: The sequence data in the line ['44'] is invalid, the data is missing.
RelaxWarning: The sequence data in the line ['45'] is invalid, the data is missing.
RelaxWarning: The sequence data in the line ['46'] is invalid, the data is missing.
RelaxWarning: The sequence data in the line ['47'] is invalid, the data is missing.
RelaxWarning: The sequence data in the line ['48'] is invalid, the data is missing.
RelaxWarning: The sequence data in the line ['49'] is invalid, the data is missing.
RelaxWarning: The sequence data in the line ['50'] is invalid, the data is missing.
RelaxWarning: The sequence data in the line ['51'] is invalid, the data is missing.
RelaxWarning: The sequence data in the line ['52'] is invalid, the data is missing.
RelaxWarning: The sequence data in the line ['53'] is invalid, the data is missing.
RelaxWarning: The sequence data in the line ['54'] is invalid, the data is missing.
RelaxWarning: The sequence data in the line ['55'] is invalid, the data is missing.
RelaxWarning: The sequence data in the line ['56'] is invalid, the data is missing.
RelaxWarning: The sequence data in the line ['57'] is invalid, the data is missing.
RelaxWarning: The sequence data in the line ['58'] is invalid, the data is missing.
RelaxWarning: The sequence data in the line ['59'] is invalid, the data is missing.
RelaxWarning: The sequence data in the line ['60'] is invalid, the data is missing.
RelaxWarning: The sequence data in the line ['61'] is invalid, the data is missing.
RelaxWarning: The sequence data in the line ['62'] is invalid, the data is missing.
RelaxWarning: The sequence data in the line ['63'] is invalid, the data is missing.
RelaxWarning: The sequence data in the line ['64'] is invalid, the data is missing.
RelaxWarning: The sequence data in the line ['65'] is invalid, the data is missing.
RelaxWarning: The sequence data in the line ['66'] is invalid, the data is missing.
RelaxWarning: The sequence data in the line ['67'] is invalid, the data is missing.
RelaxWarning: The sequence data in the line ['68'] is invalid, the data is missing.
RelaxWarning: The sequence data in the line ['69'] is invalid, the data is missing.
RelaxWarning: The sequence data in the line ['70'] is invalid, the data is missing.
RelaxWarning: The sequence data in the line ['71'] is invalid, the data is missing.
RelaxWarning: The sequence data in the line ['72'] is invalid, the data is missing.
RelaxWarning: The sequence data in the line ['73'] is invalid, the data is missing.
RelaxWarning: The sequence data in the line ['74'] is invalid, the data is missing.
RelaxWarning: The sequence data in the line ['75'] is invalid, the data is missing.
RelaxWarning: The sequence data in the line ['76'] is invalid, the data is missing.
RelaxWarning: The sequence data in the line ['77'] is invalid, the data is missing.
RelaxWarning: The sequence data in the line ['78'] is invalid, the data is missing.
RelaxWarning: The sequence data in the line ['79'] is invalid, the data is missing.
RelaxWarning: The sequence data in the line ['80'] is invalid, the data is missing.
RelaxWarning: The sequence data in the line ['81'] is invalid, the data is missing.
RelaxWarning: The sequence data in the line ['82'] is invalid, the data is missing.
RelaxWarning: The sequence data in the line ['83'] is invalid, the data is missing.
RelaxWarning: The sequence data in the line ['84'] is invalid, the data is missing.
RelaxWarning: The sequence data in the line ['85'] is invalid, the data is missing.
RelaxWarning: The sequence data in the line ['86'] is invalid, the data is missing.
RelaxWarning: The sequence data in the line ['87'] is invalid, the data is missing.
RelaxWarning: The sequence data in the line ['88'] is invalid, the data is missing.
RelaxWarning: The sequence data in the line ['89'] is invalid, the data is missing.
RelaxWarning: The sequence data in the line ['90'] is invalid, the data is missing.
RelaxWarning: The sequence data in the line ['91'] is invalid, the data is missing.
RelaxWarning: The sequence data in the line ['92'] is invalid, the data is missing.
RelaxWarning: The sequence data in the line ['93'] is invalid, the data is missing.
RelaxWarning: The sequence data in the line ['94'] is invalid, the data is missing.
RelaxWarning: The sequence data in the line ['95'] is invalid, the data is missing.
RelaxWarning: The sequence data in the line ['96'] is invalid, the data is missing.
RelaxWarning: The sequence data in the line ['97'] is invalid, the data is missing.
RelaxWarning: The sequence data in the line ['98'] is invalid, the data is missing.
RelaxWarning: The sequence data in the line ['99'] is invalid, the data is missing.
RelaxWarning: The sequence data in the line ['100'] is invalid, the data is missing.
RelaxWarning: The sequence data in the line ['101'] is invalid, the data is missing.
RelaxWarning: The sequence data in the line ['102'] is invalid, the data is missing.
RelaxWarning: The sequence data in the line ['103'] is invalid, the data is missing.
RelaxWarning: The sequence data in the line ['104'] is invalid, the data is missing.
RelaxWarning: The sequence data in the line ['105'] is invalid, the data is missing.
RelaxWarning: The sequence data in the line ['106'] is invalid, the data is missing.
RelaxWarning: The sequence data in the line ['107'] is invalid, the data is missing.
RelaxWarning: The sequence data in the line ['108'] is invalid, the data is missing.
RelaxWarning: The sequence data in the line ['109'] is invalid, the data is missing.
RelaxWarning: The sequence data in the line ['110'] is invalid, the data is missing.
RelaxWarning: The sequence data in the line ['111'] is invalid, the data is missing.
RelaxWarning: The sequence data in the line ['112'] is invalid, the data is missing.
RelaxWarning: The sequence data in the line ['113'] is invalid, the data is missing.
RelaxWarning: The sequence data in the line ['114'] is invalid, the data is missing.
RelaxWarning: The sequence data in the line ['115'] is invalid, the data is missing.
RelaxWarning: The sequence data in the line ['116'] is invalid, the data is missing.
RelaxWarning: The sequence data in the line ['117'] is invalid, the data is missing.
RelaxWarning: The sequence data in the line ['118'] is invalid, the data is missing.
RelaxWarning: The sequence data in the line ['119'] is invalid, the data is missing.
RelaxWarning: The sequence data in the line ['120'] is invalid, the data is missing.
RelaxWarning: The sequence data in the line ['121'] is invalid, the data is missing.
RelaxWarning: The sequence data in the line ['122'] is invalid, the data is missing.
RelaxWarning: The sequence data in the line ['123'] is invalid, the data is missing.
RelaxWarning: The sequence data in the line ['124'] is invalid, the data is missing.
RelaxWarning: The sequence data in the line ['125'] is invalid, the data is missing.
RelaxWarning: The sequence data in the line ['126'] is invalid, the data is missing.
RelaxWarning: The sequence data in the line ['127'] is invalid, the data is missing.
RelaxWarning: The sequence data in the line ['128'] is invalid, the data is missing.
RelaxWarning: The sequence data in the line ['129'] is invalid, the data is missing.
RelaxWarning: The sequence data in the line ['130'] is invalid, the data is missing.
RelaxWarning: The sequence data in the line ['131'] is invalid, the data is missing.
RelaxWarning: The sequence data in the line ['132'] is invalid, the data is missing.
RelaxWarning: The sequence data in the line ['133'] is invalid, the data is missing.
RelaxWarning: The sequence data in the line ['134'] is invalid, the data is missing.
RelaxWarning: The sequence data in the line ['135'] is invalid, the data is missing.
RelaxWarning: The sequence data in the line ['136'] is invalid, the data is missing.
RelaxWarning: The sequence data in the line ['137'] is invalid, the data is missing.
RelaxWarning: The sequence data in the line ['139'] is invalid, the data is missing.
RelaxError: The spin ID '#hRGS7:12' corresponds to multiple spins, including '#hRGS7:12@N' and '#hRGS7:12@H'.
</source>
A lot of problems! <br>
We modify the data file to look like this. Note the hashtag "#".
<source lang="text">
#Residue R1 Error
12 1.58 0.06
13 1.23 0.05
14 1.48 0.1
15 2.06 0.04
</source>
Now we are just going to try this.
<source lang="bash">
relax sam_script.py
</source>
That gives some output in the command as this.
<source lang="text">
RelaxError: The spin ID '#hRGS7:12' corresponds to multiple spins, including '#hRGS7:12@N' and '#hRGS7:12@H'.
</source>
NOTE: Instead of a "Warning", this is an "Error". <br>
This will not work.
And why? Relax does not know if the associated data is the R1 for the nitrogen or proton of spin 12. And then relax STOPS. <br>
Errors make relax STOP.
== Conclusion ==
The data is insufficient or not labelled correct.
== See also ==
[[Category:Tutorials]]
[[Category:Relaxation dispersion analysis]]
