def crop(self, minX, maxX):
"""Crop profile and peaklist.
minX (float) - lower m/z limit
maxX (float) - upper m/z limit
"""
# crop spectrum data
self.profile = mod_signal.crop(self.profile, minX, maxX)
# crop peaklist data
self.peaklist.crop(minX, maxX)
# clear buffers
self.reset()
def crop(self, minX, maxX):
"""Crop profile and peaklist.
minX (float) - lower m/z limit
maxX (float) - upper m/z limit
"""
# crop spectrum data
self.profile = mod_signal.crop(self.profile, minX, maxX)
# crop peaklist data
self.peaklist.crop(minX, maxX)
# clear buffers
self.reset()
def create_fragment_list(sequence_string,scanfiles):
scan_data = {}
for scan in scanfiles.keys():
with open(scanfiles[scan],'rb') as f:
scan_data[scan] = np.load(f)
sequence_obj = sequence(sequence_string)
series = []
series.append('b')
series.append('y')
fragments = mod_proteo.fragment(
sequence = sequence_obj,
series = series,
scrambling = False
)
for fragment in fragments:
print(fragment.format('f'))
for z in range(1,8):
monomass = fragment.mz(z)[0]
if (monomass> 350 and monomass < 1200):
print(z)
for scan in scanfiles.keys():
plt.plot(*mod_signal.crop(scan_data[scan],monomass-0.1,monomass+2).T)
plt.show()
plt.clf()
