def _export_spec_factory(self): # dc = self.collector # fb = dc.get_fit_block(-1, self.fits) # rs_name, rs_text = self._assemble_script_blob() rid = self.per_spec.run_spec.runid # blanks = self.get_previous_blanks() # dkeys = [d.name for d in self._active_detectors] # sf = dict(zip(dkeys, fb)) # p = self._current_data_frame ic = self.per_spec.isotope_group.get_ic_factor('CDD') exp = MassSpecExportSpec( runid=rid, runscript_name=self.per_spec.runscript_name, runscript_text=self.per_spec.runscript_blob, # signal_fits=sf, mass_spectrometer=self.per_spec.run_spec.mass_spectrometer. capitalize(), # blanks=blanks, # data_path=p, isotopes=self.per_spec.isotope_group.isotopes, # signal_intercepts=si, # signal_intercepts=self._processed_signals_dict, is_peak_hop=self.per_spec.save_as_peak_hop, ic_factor_v=float(nominal_value(ic)), ic_factor_e=float(std_dev(ic))) exp.load_record(self.per_spec.run_spec) return exp
def _make_spec(self, ai): rs_name, rs_text = '', '' rid = ai.record_id exp = MassSpecExportSpec( runid=rid, runscript_name=rs_name, runscript_text=rs_text, mass_spectrometer=ai.mass_spectrometer.capitalize(), isotopes=ai.isotopes) exp.load_record(ai) return exp
def setUp(self): data_path = '/Users/ross/Sandbox/aaaa_isotope.h5' self.spec = MassSpecExportSpec(data_path=data_path)