3.6 Working with Raw Laboratory Spectra

The ‘laboratory’-instance exposes available raw laboratory spectra when an experimental database XML-file is loaded (work-in-progress).

uids = pahdb.search("c<=20 neutral n=2 neutral")

laboratory = pahdb.getlaboratorybyuid(uids)

The ‘laboratory’-instance’s ‘plot’-method will display the raw laboratory spectra. The spectrum of each PAH species will be presented in a different color (work-in-progress).

laboratory.plot()

Optionally, the ‘wavelength’, ‘oplot’, and ‘color’-keywords can be given to the ‘plot’-method to control the abscissa, overplotting, and color, respectively (work-in-progress).

laboratory.plot(wavelength=True,color='blue')

The ‘laboratory’-instance’s ‘write’-method will write the raw laboratory spectrum to file. The spectrum of each PAH species will be written to a separate text (.txt) file, where each filename will have the PAH species UID embedded. Optionally, a prefix can be given that will be prepended to the filename (work-in-progress).

laboratory.write('myFile')