@@ -388,24 +388,29 @@ def species(self, species):
388388 @property
389389 def fid_object (self ):
390390 try :
391- self .__fid_object .raw_data = self .data .tolist ()
391+ self .__fid_object .raw_data = [str (datum ) for datum in self .raw_data ]
392+ self .__fid_object .processed_data = [float (datum ) for datum in self .data ]
392393 except AttributeError :
393- print ('Warning: Fid.data is not yet set. Raw data will not be updated.' )
394+ print ('Warning: Fid.data is not yet set. Processed data will not be updated.' )
395+ if not isinstance (self ._params .get ('acqtime' ), float ):
396+ return self .__fid_object
394397 try :
395398 self .__fid_object .nmr_parameters = Parameters (
396- acquisition_time = self ._params ['at' ],
399+ acquisition_time_period = self ._params ['at' ],
397400 relaxation_time = self ._params ['d1' ],
398401 repetition_time = self ._params ['rt' ],
399402 number_of_transients = self ._params ['nt' ],
400- acquisition_times_array = self ._params ['acqtime' ],
403+ acquisition_time_point = self ._params ['acqtime' ],
401404 spectral_width_ppm = self ._params ['sw' ],
402405 spectral_width_hz = self ._params ['sw_hz' ],
403406 spectrometer_frequency = self ._params ['sfrq' ],
404407 reference_frequency = self ._params ['reffrq' ],
405408 spectral_width_left = self ._params ['sw_left' ],
406409 )
407410 except AttributeError :
408- print ('Warning: Fid._params is not yet set. NMR parameters will not be updated.' )
411+ print ('Warning: Fid._params does not yet exist. NMR parameters will not be updated.' )
412+ except TypeError :
413+ print ('Warning: Fid._params exists but is not yet set. NMR parameters will not be updated.' )
409414 return self .__fid_object
410415
411416 @fid_object .setter
@@ -1595,7 +1600,7 @@ def concentrations(self, concentrations):
15951600 if not all (len (concentrations [species ]) == len (self .t ) for species in concentrations .keys ()):
15961601 raise ValueError ('Length of concentrations must match length of FID data.' )
15971602 for v in concentrations .values ():
1598- if not all (isinstance (i , (in4t , float )) for i in v ):
1603+ if not all (isinstance (i , (int , float )) for i in v ):
15991604 raise ValueError ('Concentrations must be a list of integers or floats.' )
16001605 self .__concentrations = concentrations
16011606
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