Subsections


relax_disp.r2eff_read

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Synopsis

Read R2eff/R1rho values and errors from a file.

Defaults

relax_disp.r2eff_read(id=None, file=None, dir=None, disp_frq=None, spin_id_col=None, mol_name_col=None, res_num_col=None, res_name_col=None, spin_num_col=None, spin_name_col=None, data_col=None, error_col=None, sep=None)

Keyword arguments

id: The partial experiment ID string to identify this data with. The full ID string will be constructed as this ID followed by an underscore and then the dispersion point value from the file.

file: The name of the file.

dir: The directory name.

disp_frq: For CPMG-type data, the frequency of the CPMG pulse train. For R1rho-type data, the spin-lock field strength nu1. The units must be Hertz

spin_id_col: The spin ID string column used by the generic file format (an alternative to the mol, res, and spin name and number columns).

mol_name_col: The molecule name column used by the generic file format (alternative to the spin ID column).

res_num_col: The residue number column used by the generic file format (alternative to the spin ID column).

res_name_col: The residue name column used by the generic file format (alternative to the spin ID column).

spin_num_col: The spin number column used by the generic file format (alternative to the spin ID column).

spin_name_col: The spin name column used by the generic file format (alternative to the spin ID column).

data_col: The RDC data column.

error_col: The experimental error column.

sep: The column separator used by the generic format (the default is white space).

Description

This will read R2eff/R1rho data directly from a file. The data will be associated with an experiment ID string. A partial ID is to be supplied and then the full ID string will be constructed as this ID followed by an underscore and then the dispersion point value from the file (as `%s_%s' % (id, disp_point)). The full IDs must already exist and have been used to set the type of dispersion experiment the data is from, spectrometer proton frequency of the data, and if needed the time of the relaxation period.

The format of this text file must be that each row corresponds to a unique spin system and that there is one file per dispersion point (i.e. per CPMG frequency nu_CPMG or per spin-lock field strength nu1). The file must be in columnar format and information to identify the spin must be in columns of the file.


The relax user manual (PDF), created 2016-10-28.