The relaxation dispersion analysis for repeated data.
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__init__(self,
settings)
Perform a repeated dispersion analysis for settings given. |
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set_base_cpmg(self,
method=None,
glob_ini=None,
force=False)
Setup base information, but do not load intensity. |
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set_intensity_and_error(self,
pipe_name,
glob_ini=None,
set_rmsd=None) |
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do_spectrum_error_analysis(self,
pipe_name,
set_rep=None)
Do spectrum error analysis, where both replicates per spectrometer
frequency and subset is taken into consideration. |
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set_int(self,
methods=None,
list_glob_ini=None,
set_rmsd=True,
set_rep=False,
force=False)
Call both the setup of data and the error analysis |
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calc_r2eff(self,
methods=None,
list_glob_ini=None,
force=False)
Method to calculate R2eff or read previous results. |
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deselect_all(self,
methods=None,
model=None,
model_from=None,
analysis=None,
analysis_from=None,
list_glob_ini=None,
force=False)
Method to deselect all spins for a pipe. |
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select_spin(self,
spin_id=None,
methods=None,
model=None,
model_from=None,
analysis=None,
analysis_from=None,
list_glob_ini=None,
force=False)
Method to select spins for a pipe. |
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value_set(self,
spin_id=None,
val=None,
param=None,
methods=None,
model=None,
model_from=None,
analysis=None,
analysis_from=None,
list_glob_ini=None,
force=False)
Use value.set on all pipes. |
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r20_from_min_r2eff(self,
spin_id=None,
methods=None,
model=None,
model_from=None,
analysis=None,
analysis_from=None,
list_glob_ini=None,
force=False)
Will set the grid R20 values from the minimum R2eff values through
the r20_from_min_r2eff user function. |
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minimise_grid_search(self,
inc=11,
verbosity=0,
methods=None,
model=None,
model_from=None,
analysis=None,
analysis_from=None,
list_glob_ini=None,
force=False)
Use value.set on all pipes. |
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cluster_spins(self,
spin_id=None,
methods=None,
model=None,
model_from=None,
analysis=None,
analysis_from=None,
list_glob_ini=None,
force=False)
Method to select spins for a pipe. |
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minimise_execute(self,
verbosity=1,
methods=None,
model=None,
model_from=None,
analysis=None,
analysis_from=None,
list_glob_ini=None,
force=False,
mc_err_analysis=False)
Use value.set on all pipes. |
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name_pipe(self,
method,
model,
analysis,
glob_ini,
clusterid=None)
Generate a unique name for the data pipe. |
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check_previous_result(self,
method=None,
model=None,
analysis=None,
glob_ini=None,
clusterid=None,
bundle=None) |
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spin_display_params(self,
spin_id=None,
pipe_name=None)
Display parameters for model in pipe. |
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get_dublicates(self,
spectrum_ids,
cpmg_frqs)
Method which return a list of tubles, where each tuble is a spectrum
id and a list of spectrum ids which are replicated |
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col_int(self,
method=None,
list_glob_ini=None,
selection=None) |
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plot_int_corr(self,
corr_data,
show=False,
write_stats=False) |
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get_int_stat_dic(self,
list_int_dics=None,
list_glob_ini=None) |
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plot_int_stat(self,
int_stat_dic=None,
methods=[ ] ,
list_glob_ini=[ ] ,
show=False,
write_stats=False) |
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col_r2eff(self,
method=None,
list_glob_ini=None,
selection=None) |
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plot_r2eff_corr(self,
corr_data,
show=False,
write_stats=False) |
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get_r2eff_stat_dic(self,
list_r2eff_dics=None,
list_glob_ini=None) |
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plot_r2eff_stat(self,
r2eff_stat_dic=None,
methods=[ ] ,
list_glob_ini=[ ] ,
show=False,
write_stats=False) |
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col_min(self,
method=None,
model=None,
analysis=None,
list_glob_ini=None,
selection=None) |
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plot_min_corr(self,
corr_data,
show=False,
write_stats=False) |
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get_min_stat_dic(self,
list_r2eff_dics=None,
list_glob_ini=None) |
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plot_min_stat(self,
min_stat_dic=None,
methods=[ ] ,
list_glob_ini=[ ] ,
show=False,
write_stats=False) |
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write_results(self,
method=None,
model=None,
analysis=None,
list_glob_ini=None,
selection=None,
write_disp=True) |
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write_results_test(self,
path=None,
model=None,
models_tested=None,
search=None,
param=None,
file_name_ini=None)
Create a set of results, text and Grace files for the current data
pipe. |
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write_convert_file(self,
file_name=None,
path=None,
search=None) |
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create_mc_data(self,
number=500,
distribution=' measured ' ,
fixed_error=None,
methods=None,
model=None,
model_from=None,
analysis=None,
analysis_from=None,
list_glob_ini=None,
force=False)
Create MC data. |
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summarize_results(self,
methods=None,
model=None,
analysis=None,
list_glob_ini=None,
selections=None)
Collect all results and make statistics |
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set_self(self,
key,
value)
Store to self and settings dictionary |
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