def peaks(spectra, frequency, number=3, thresh=0.01):
""" Return the peaks from the Fourier transform
Variables:
number: integer. number of peaks to print.
thresh: float. Threshhold intensity for printing.
Returns: Energy (eV), Intensity (depends on type of spectra)
"""
from scipy.signal import argrelextrema as pks
# find all peak indices [idx], and remove those below thresh [jdx]
idx = pks(np.abs(spectra), np.greater, order=3)
jdx = np.where((np.abs(spectra[idx]) >= thresh))
kdx = idx[0][jdx[0]] # indices of peaks matching criteria
if number > len(kdx):
number = len(kdx)
print("First " + str(number) + " peaks (eV) found: ")
for i in xrange(number):
print("{0:.4f}".format(frequency[kdx][i] * 27.2114),
"{0:.4f}".format(spectra[kdx][i]))
def peaks(self,number=3,thresh=0.01):
""" Return the peaks from the Fourier transform
Variables:
number: integer. number of peaks to print.
thresh: float. Threshhold intensity for printing.
Returns: Energy (eV), Intensity (depends on type of spectra)
"""
from scipy.signal import argrelextrema as pks
# find all peak indices [idx], and remove those below thresh [jdx]
idx = pks(self.spectra,np.greater,order=5)
jdx = np.where((np.abs(self.spectra[idx]) >= thresh))
kdx = idx[0][jdx[0]] # indices of peaks matching criteria
if number > len(kdx):
number = len(kdx)
print "First "+str(number)+" peaks (eV) found: "
for i in xrange(number):
print "{0:.2f}".format(self.frequency[kdx][i]*27.2114),\
"{0:.2f}".format(self.spectra[kdx][i])