xrayscatteringtools 0.2.0

A library for gas phase analysis at the CXI endstation

xrayscatteringtools

A python library for the analysis of data from the CXI endstation at the LCLS.

calib submodule pertains to the geometry calibration routine

theory submodule pertains to stored ab initio patterns, iam, or geometries.

utils has a bunch of useful functions in it

xrayscatteringtools.io has anything pertaning to loading or writing data (combineRuns is in here)

plotting has anything to do with plotting.

List of all methods:

All methods should have full docstrings in the NumPy docstring standard.

• calib
  • geometry_calibration
    • run_geometry_calibration()
    • model()
    • thompson_correction()
    • geometry_correction()
    • geometry_correction_units()
  • scattering_corrections
    • correction_factor()
    • Si_correction()
    • KaptonHN_correction()
    • Al_correction()
    • Be_correction()
    • cell_correction()
    • Si_attenuation_length()
    • Al_attenuation_length()
    • Be_attenuation_length()
    • KaptonHN_attenuation_length()
    • Zn_attenuation_length()
    • J4M_efficiency()
• theory
  • iam
    • iam_elastic_pattern()
    • iam_inelastic_pattern()
    • iam_total_pattern()
    • iam_compton_spectrum()
    • iam_elastic_pattern_oriented()
    • iam_inelastic_pattern_oriented()
    • iam_total_pattern_oriented()
  • patterns
    • SF6__CCSD__aug_cc_pVDZ
    • SF6__HF__aug_cc_pVDZ
    • SF6__MP2__aug_cc_pVDZ
  • geometries
    • SF6__CCSD_T_DHK__aug_cc_pV5Z_DK
• io
  • combineRuns()
  • get_tree()
  • is_leaf()
  • get_leaves()
  • get_data_paths()
  • runNumToString()
  • read_xyz()
  • write_xyz()
  • read_mol()
• plotting
  • plot_jungfrau()
  • compute_pixel_edges()
• utils
  • enable_underscore_cleanup()
  • azimuthalBinning()
  • au2invAngstroms()
  • invAngstroms2au()
  • keV2Angstroms()
  • Angstroms2keV()
  • q2theta()
  • theta2q()
  • element_symbol_to_number()
  • element_number_to_symbol()
  • translate_molecule()
  • rotate_molecule()
  • J4M()