Module containing functions for the handling of peak intensities.
|
__errors_height_no_repl()
Calculate the errors for peak heights when no spectra are replicated. |
source code
|
|
|
|
|
__errors_volume_no_repl()
Calculate the errors for peak volumes when no spectra are replicated. |
source code
|
|
|
|
|
baseplane_rmsd(error=0.0,
spectrum_id=None,
spin_id=None)
Set the peak intensity errors, as defined as the baseplane RMSD. |
source code
|
|
|
delete(spectrum_id=None)
Delete spectral data corresponding to the spectrum ID. |
source code
|
|
|
error_analysis()
Determine the peak intensity standard deviation. |
source code
|
|
list of lists of str, str, str, float
|
intensity_generic(file_data=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,
sep=None,
spin_id=None)
Return the process data from the generic peak intensity file. |
source code
|
|
list of lists of str, str, str, float, str
|
|
list of lists of str, str, str, float, str
|
|
list of lists of str, str, str, float, str
|
intensity_xeasy(file_data=None,
heteronuc=None,
proton=None,
int_col=None)
Return the process data from the XEasy peak intensity file. |
source code
|
|
|
read(file=None,
dir=None,
spectrum_id=None,
heteronuc=None,
proton=None,
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)
Read the peak intensity data. |
source code
|
|
|
|
dict of bool
|
|
list of str
|
|