nmrglue.analysis.peakpick.pick
- nmrglue.analysis.peakpick.pick(data, pthres, nthres=None, msep=None, algorithm='connected', est_params=True, lineshapes=None, edge=None, diag=False, c_struc=None, c_ndil=0, cluster=True, table=True, axis_names=['A', 'Z', 'Y', 'X'])[source]
Pick (find) peaks in a region of a NMR spectrum.
- Parameters
- datandarray
Region of NMR spectrum to pick peaks from.
- pthresfloat
Minimum peak height for positive peaks. None to not detect positive peaks.
- nthresfloat
Minimum peak height for negative peaks (typically a negative value). None to not detect negative peaks.
- mseptuple of ints, optional
N-tuple of minimum peak seperations along each axis. Must be provided if algorithm is ‘thresh’ or ‘thresh-fast’.
- algorithm{‘thres’, thresh-fast’, ‘downward’, ‘connected’}, optional
Peak picking algorithm to use. Default is ‘connected’.
- est_paramsbool, optional
True to perform an estimate of linewidths and amplitude for all peaks picked. False, the default, will return only the peak locations.
- lineshapeslist, optional
A list of lineshape classes or string shortcuts for each dimension. If not specified Gaussian type lineshapes with a FWHM linewidth parameter is assumed in each dimension. This parameter if only used if est_params is True.
- edgetuple of ints, optional
Tuple to add to peak locations representing the edge of the region. None, the default, skips this addition.
- diagbool, optional
True to consider diagonal points to be touching in peak finding algorithm and clustering.
- c_strucndarray, optional
Structure element to use when applying dilation on segments before applying clustering algorithm. None will apply a default square structure with connectivity one will be applied.
- c_ndilint, optional
Number of dilations to perform on segments before applying clustering algorithm.
- clusterbool, optional
True to cluster touching peaks. False does not apply clustering.
- tablebool, optional
True to return a table. False to return lists.
- axis_nameslist. optional
List of axis names, the last n will be used for column name prefixes in table where n is the number of dimensions.
- Returns
- locationslist, returned when table is False
Peak locations.
- cluster_idslist, returned when table is False and cluster is True
Cluster numbers for peaks.
- scaleslist, returned when table is False and est_params is True
Estimated peak scales (linewidths).
- ampslist, returned when table is False and est_params is True
Estimated peak amplitudes.
- tablerecarray, returned when table is True
Table of request peak parameters.