trXAS Measurement Outer Products and Example Computer Code

This item contains two H5 files. The H5 first file, "para-aminophenol_trXAS_outer_products.h5", is an H5 file which contains 3 fields: "AtA_array", "Atb_array" and "gmd_centers". "AtA_array" and "Atb_array" are the outer products of the photon spectrum with itself and the the photon spectrum with the absorption yield respectively for each delay, pump energy bin, bootstrap iteration, and photon energy bin. The shape of "AtA_array" is (delay points, pump energy bin, bootstrap iteration, photon energy bin, photon energy bin) and the shape the "Atb_array" is (delay points, pump energy bin, bootstrap iteration, photon energy bin). "gmd_centers" is an array of the mean pump pulse energy for each bin in millijoules and the shape of "gmd_centers" is (delay points, pump energy bin, bootstrap iteration).The second H5 file, "photon_energy_axis_calib.h5", is an H5 file which includes the calibration to convert from photon energy index to photon energy. The name of this field is "pe_bins_calib". Two computer code files are included. The ana_spook.py file is a utility module with several attributes that store intermediate analysis data and performs basic analysis tasks such as calculating the pump-probe dependent signal in a certain photon energy region of interest. We also include a python notebook called "double_regression_figshare_example_notebook.ipynb" which shows how to reconstruct the XAS spectrum given the outer products of the photon spectrum with itself and the photon spectrum with the absorption yield. We then show how to use the "ana_spook.py" module to calculate the time dependent signal.