@@ -342,24 +342,29 @@ def species(self, species):
342342 @property
343343 def fid_object (self ):
344344 try :
345- self .__fid_object .raw_data = self .data .tolist ()
345+ self .__fid_object .raw_data = [str (datum ) for datum in self .raw_data ]
346+ self .__fid_object .processed_data = [float (datum ) for datum in self .data ]
346347 except AttributeError :
347- print ('Warning: Fid.data is not yet set. Raw data will not be updated.' )
348+ print ('Warning: Fid.data is not yet set. Processed data will not be updated.' )
349+ if not isinstance (self ._params .get ('acqtime' ), float ):
350+ return self .__fid_object
348351 try :
349352 self .__fid_object .nmr_parameters = Parameters (
350- acquisition_time = self ._params ['at' ],
353+ acquisition_time_period = self ._params ['at' ],
351354 relaxation_time = self ._params ['d1' ],
352355 repetition_time = self ._params ['rt' ],
353356 number_of_transients = self ._params ['nt' ],
354- acquisition_times_array = self ._params ['acqtime' ],
357+ acquisition_time_point = self ._params ['acqtime' ],
355358 spectral_width_ppm = self ._params ['sw' ],
356359 spectral_width_hz = self ._params ['sw_hz' ],
357360 spectrometer_frequency = self ._params ['sfrq' ],
358361 reference_frequency = self ._params ['reffrq' ],
359362 spectral_width_left = self ._params ['sw_left' ],
360363 )
361364 except AttributeError :
362- print ('Warning: Fid._params is not yet set. NMR parameters will not be updated.' )
365+ print ('Warning: Fid._params does not yet exist. NMR parameters will not be updated.' )
366+ except TypeError :
367+ print ('Warning: Fid._params exists but is not yet set. NMR parameters will not be updated.' )
363368 return self .__fid_object
364369
365370 @fid_object .setter
@@ -1549,7 +1554,7 @@ def concentrations(self, concentrations):
15491554 if not all (len (concentrations [species ]) == len (self .t ) for species in concentrations .keys ()):
15501555 raise ValueError ('Length of concentrations must match length of FID data.' )
15511556 for v in concentrations .values ():
1552- if not all (isinstance (i , (in4t , float )) for i in v ):
1557+ if not all (isinstance (i , (int , float )) for i in v ):
15531558 raise ValueError ('Concentrations must be a list of integers or floats.' )
15541559 self .__concentrations = concentrations
15551560
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