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()