Module containing functions for the handling of peak intensities.
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__errors_height_no_repl()
Calculate the errors for peak heights when no spectra are replicated. |
source code
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__errors_volume_no_repl(subset=None)
Calculate the errors for peak volumes when no spectra are replicated. |
source code
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baseplane_rmsd(error=0.0,
spectrum_id=None,
spin_id=None)
Set the peak intensity errors, as defined as the baseplane RMSD. |
source code
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delete(spectrum_id=None)
Delete spectral data corresponding to the spectrum ID. |
source code
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error_analysis_per_field()
Perform an error analysis of the peak intensities for each field
strength separately. |
source code
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list of str
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read(file=None,
dir=None,
spectrum_id=None,
dim=1,
int_col=None,
int_method=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,
sep=None,
spin_id=None,
ncproc=None,
verbose=True)
Read the peak intensity data. |
source code
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read_spins(file=None,
dir=None,
dim=1,
spin_id_col=None,
mol_name_col=None,
res_num_col=None,
res_name_col=None,
spin_num_col=None,
spin_name_col=None,
sep=None,
spin_id=None,
verbose=True)
Read the peak intensity data. |
source code
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dict of bool
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list of str
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sn_ratio_deselection(ratio=10.0,
operation=' < ' ,
all_sn=False,
select=False,
verbose=True)
Use user function deselect.spin on spins with signal to noise ratio
higher or lower than ratio. |
source code
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sn_ratio_selection(ratio=10.0,
operation=' > ' ,
all_sn=True,
verbose=True)
Use user function select.spin on spins with signal to noise ratio
higher or lower than ratio. |
source code
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