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Read the J coupling data from file.

Defaults, dir=None, spin_id1_col=1, spin_id2_col=2, data_col=None, error_col=None, sign_col=None, sep=None)

Keyword arguments

file: The name of the file containing the J coupling data.

dir: The directory where the file is located.

spin_id1_col: The spin ID string column for the first spin.

spin_id2_col: The spin ID string column for the second spin.

data_col: The J coupling data column.

error_col: The experimental error column.

sign_col: A special column holding the sign of the J coupling, being either 1 or -1, in case this data is obtained separately.

sep: The column separator (the default is white space).


This will read J coupling data from a file. If the sign of the J coupling has been determined by a different experiment, this information can be present in a different column having either the value of 1 or -1.

Prompt examples

The following commands will read the J coupling data out of the file `J.txt' where the columns are separated by the symbol `,':

relax>'J.txt', sep=',')

If the individual spin J coupling errors are located in the file `j_err.txt' in column number 5 then, to read these values into relax, type one of:

relax>'j_err.txt', error_col=5)

relax>'j_err.txt', error_col=5)

The relax user manual (PDF), created 2020-08-26.