Hi all !
I am now analysing data using relax (line 1.2, branch consistency-tests,
revision 3354).
I realized (when using the consistency tests function) that it could be
nice to check data set format and output a error message when the format
isn't like the one requested.
For example, a data set of the following format wouldn't work :
1 0.90 0.05
2 0.79 0.05
3 0.6 0.1
neither would it work with the following format :
Gly 1 0.90 0.05
Gly 2 0.79 0.05
Gly 3 0.6 0.1
However, a dataset of the following format would work as it is the
format required :
1 Gly 0.90 0.05
2 Gly 0.79 0.05
3 Gly 0.6 0.1
This type of error is long to find out for a standard user as the error
messages yielded are not very helpful.
So, would it be a good idea to add a kind of test for the data set
format ? Maybe this has been already proposed for the 1.3 line. If so,
sorry for the duplicate request...
Cheers !
Sébastien :)
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|| Sebastien Morin ||
||| Etudiant au PhD en biochimie |||
|||| Laboratoire de resonance magnetique nucleaire ||||
||||| Dr Stephane Gagne |||||
|||| CREFSIP (Universite Laval, Quebec, CANADA) ||||
||| 1-418-656-2131 #4530 |||
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Data set format