Initilize the data
The structure of self.nmr_frq is as follows: The length of the first dimension is equal to the number
of field strengths. The fields of the second are:
0 - NMR frequency label
1 - NMR proton frequency in MHz
2 - R1 flag (0 or 1 depending if data is present).
3 - R2 flag (0 or 1 depending if data is present).
4 - NOE flag (0 or 1 depending if data is present).
The structure of self.input_info is as follows: The fields of the first dimension correspond
to each relaxation data set and is flexible in size, ie len(self.input_info) = number of data sets.
The second dimension have the following fixed fields taken from the file 'input':
0 - Data type (NOE, R1, or R2)
1 - NMR frequency label
2 - NMR proton frequency in MHz
3 - The name of the file containing the relaxation data
The structure of self.relax_data is as follows: The first dimension corresponds to each
relaxation data set as in self.input_info. The fields point to 2D data structures containing
the data from the relaxation file (missing the single header line), ie:
[res][0] - Residue number
[res][1] - Residue name
[res][2] - Relaxation value
[res][3] - Relaxation error
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