def setPeakIntensity(self): # PeakIntensity attributes (only set if they were reported in the file) if self.rawPeak.intensity != None and (self.rawPeak.intensity or not self.rawPeak.volume): peakInt = Nmr.PeakIntensity( self.peak, value=self.rawPeak.intensity, method=self.methods[self.format]['Intensity (data)']) peakInt.intensityType = height_kw if self.rawPeak.intensityFit != None: peakInt = Nmr.PeakIntensity( self.peak, value=self.rawPeak.intensityFit, method=self.methods[self.format]['Intensity (fitted)']) peakInt.intensityType = height_kw if self.rawPeak.volume != None and (self.rawPeak.volume or not self.rawPeak.intensity): methodKey = "Volume (%s)" % self.rawPeak.volumeMethod peakInt = Nmr.PeakIntensity( self.peak, value=self.rawPeak.volume, method=self.methods[self.format][methodKey]) peakInt.intensityType = volume_kw
def setPeakIntensity(self): # PeakIntensity attributes if self.rawPeak.intensity != 0: peakInt = Nmr.PeakIntensity(self.peak,value = self.rawPeak.intensity, method = self.methods[self.format]['Intensity']) # Assuming always intensity for pronto peakInt.intensityType = height_kw
def setPeakIntensity(self): # PeakIntensity attributes # Intensity and volume are always set for an nmrView peak if self.rawPeak.volume != 0: peakInt = Nmr.PeakIntensity( self.peak, value=self.rawPeak.volume, method=self.methods[self.format]['Volume']) peakInt.intensityType = volume_kw if self.rawPeak.intensity != 0: peakInt = Nmr.PeakIntensity( self.peak, value=self.rawPeak.intensity, method=self.methods[self.format]['Intensity']) peakInt.intensityType = height_kw
def setPeakIntensity(self): # PeakIntensity attributes if self.rawPeak.intensity != 0: # Software method not known: could come from anywhere peakInt = Nmr.PeakIntensity(self.peak,value = self.rawPeak.intensity, method = self.methods['unknown']['Intensity']) # Assuming height for autoassign peakInt.intensityType = height_kw
def setPeakIntensity(self): # PeakIntensity attributes if self.rawPeak.volume != 0: peakInt = Nmr.PeakIntensity( self.peak, value=self.rawPeak.volume, method=self.methods[self.format]['Volume']) # Assuming always volume for ansig peakInt.intensityType = volume_kw
def setPeakIntensity(self): self.intMethod = self.peakFile.translateIntMethod(self.format,self.rawPeak.intCode) if self.intMethod != 'Not integrated': if self.forceHeight: # PeakIntensity attributes peakInt = Nmr.PeakIntensity(self.peak,value = self.rawPeak.volume, method = self.methods['unknown']['Intensity']) intensityType = height_kw else: # PeakIntensity attributes # Assuming that always volume for xeasy (all integration) peakInt = Nmr.PeakIntensity(self.peak,value = self.rawPeak.volume, method = self.methods[self.format][self.intMethod]) intensityType = volume_kw peakInt.error = self.rawPeak.volumeError peakInt.intensityType = intensityType
def setPeakIntensity(self): # # PeakIntensity attributes # if self.rawPeak.intensity != 0: peakInt = Nmr.PeakIntensity( self.peak, value=self.rawPeak.intensity, error=self.rawPeak.intensityError, method=self.methods[self.format]['Intensity']) peakInt.intensityType = height_kw if self.rawPeak.volume != 0: peakInt = Nmr.PeakIntensity( self.peak, value=self.rawPeak.volume, method=self.methods[self.format]['Volume']) peakInt.intensityType = volume_kw