Put all of your data files in a folder that must be called ‘data’. Once you’ve done this, run the program ‘data.py’ to process every AIA data file in that folder using the calibration information that was determined from the steps above.
This program opens the AIA file for the sample and performs non-negative least squares analysis of the full data set using the reference spectra that are listed in the ‘reference_files.txt’ file. Using the calibration information that was determined above, it finds the concentrations of those components in the sample data. For every reference compound that has associated calibration information, a plot is generated that overlays the TIC (gray) and extracted reference fit (blue). The title of the plot provides the calibrated concentration information. Visual inspection of these files is recommended.
This file also accepts the same command line arguments as ‘calibration.py’ from the section above. You will be warned if you try to analyze your data with different background information than the calibration samples. This may not impact your data much, but it is good to know if you are doing something different.
This file also generates another HDF5 file called ‘data.h5’, which contains the integration and concentration information for every component. This information is identical to what is printed on the extraction plots above. However, this tabular form of the data is a bit more convenient for comparing many data sets. See the Calibration section for a recommended HDF5 file viewer.