Component Manual for the Xray-Tracing Package McXtrace, version 3.8.6

Contents

   Preface and acknowledgements
1  About the component library
 1.1  Authorship
 1.2  Symbols for x-ray scattering and simulation
 1.3  Component coordinate system
 1.4  About data files
 1.5  Component source code
 1.6  Documentation
 1.7  Disclaimer, bugs
2  Monte Carlo Techniques and simulation strategy
 2.1  X-ray simulations
  2.1.1  Monte Carlo ray tracing simulations
 2.2  The x-ray weight
  2.2.1  Statistical errors of non-integer counts
 2.3  Weight factor transformations during a Monte Carlo choice
  2.3.1  Direction focusing
 2.4  Stratified sampling
 2.5  Accuracy of Monte Carlo simulations
3  Source components
  3.0.1  Photon flux and Brilliance
 3.1  The Source_pt McXtrace Component
 3.2  The Source_flat McXtrace Component
 3.3  The Source_div McXtrace Component
 3.4  The Source_gaussian McXtrace Component
 3.5  The Source_lab McXtrace Component
 3.6  Other sources components: virtual sources (event files)
4  Beam optical components: Arms, slits, filters etc.
 4.1  The Arm McXtrace Component
 4.2  The Slit McXtrace Component
 4.3  The Slit_N McXtrace Component
 4.4  The Beamstop McXtrace Component
 4.5  The Mask McXtrace Component
 4.6  The Filter McXtrace Component
  4.6.1  Example
 4.7  The Chopper_simple McXtrace Component
5  Refractive optical components: lenses
 5.1  The Lens_simple McXtrace Component
 5.2  The Lens_parab McXtrace Component
 5.3  The Lens_parab_Cyl McXtrace Component
 5.4  The Lens_elliptical McXtrace Component
6  Reflective optical components: mirrors
 6.1  The Mirror_curved McXtrace Component
 6.2  The Mirror_parabolic McXtrace Component
 6.3  The Mirror_elliptic McXtrace Component
 6.4  The Multilayer_elliptic McXtrace Component
  6.4.1  Definition of the reference frames
  6.4.2  Algorithm
  6.4.3  Reflection of the ray in the mirror
  6.4.4  Mirror reflectivity
 6.5  The TwinKB_ML McXtrace Component
7  Samples
  7.0.1  Scattering notation
  7.0.2  Weight transformation in samples; focusing
  7.0.3  Future development of sample components
 7.1  The Absorption_sample McXtrace Component
 7.2  The Saxs_spheres McXtrace Component
 7.3  The PowderN McXtrace Component
  7.3.1  Files formats: powder structures
  7.3.2  Geometry, physical properties, concentricity
  7.3.3  Powder scattering
  7.3.4  Algorithm
 7.4  The Single_crystal McXtrace Component
 7.5  The Molecule_2state McXtrace Component
8  Monitors and detectors
 8.1  The Monitor McXtrace Component
 8.2  The E_monitor McXtrace Component
 8.3  The L_monitor McXtrace Component
 8.4  The PSD_monitor McXtrace Component
 8.5  The PSD_monitor_coh McXtrace Component
 8.6  The PSD_monitor_4PI McXtrace Component
 8.7  The EPSD_monitor McXtrace Component
 8.8  The W_psd_monitor McXtrace Component
 8.9  The Monitor_nD McXtrace Component
  8.9.1  The Monitor_nD geometry
  8.9.2  The photon parameters that can be monitored
  8.9.3  Important options
  8.9.4  The output files
  8.9.5  Monitor equivalences
  8.9.6  Usage examples
  8.9.7  Monitoring user variables
9  Special-purpose components
 9.1  The Progress_bar McXtrace Component
 9.2  The Shadow_input McXtrace Component
 9.3  The Shadow_output McXtrace Component
10  The Union framework: sample environments and multiple scattering
 10.1  Union framework core: initialization, master, and termination
 10.2  The Union_init McXtrace Component
 10.3  The Union_master McXtrace Component
 10.4  The Union_stop McXtrace Component
 10.5  Union geometry components
 10.6  The Union_box McXtrace Component
 10.7  The Union_cylinder McXtrace Component
 10.8  The Union_sphere McXtrace Component
 10.9  The Union_cone McXtrace Component
 10.10  Union material definition
 10.11  The Union_make_material McXtrace Component
 10.12  Union scattering/interaction process components
 10.13  The Incoherent_process McXtrace Component
 10.14  The Compton_xrl_process McXtrace Component
 10.15  The Rayleigh_xrl_process McXtrace Component
 10.16  The KN_xrl_process McXtrace Component
 10.17  The Powder_process McXtrace Component
 10.18  The Template_process McXtrace Component
11  SasView/sasmodels form factors: small-angle scattering
 11.1  SasView form-factor components
 11.2  The SasView_adsorbed_layer McXtrace Component
 11.3  The SasView_barbell McXtrace Component
 11.4  The SasView_barbell_aniso McXtrace Component
 11.5  The SasView_bcc_paracrystal McXtrace Component
 11.6  The SasView_bcc_paracrystal_aniso McXtrace Component
 11.7  The SasView_binary_hard_sphere McXtrace Component
 11.8  The SasView_broad_peak McXtrace Component
 11.9  The SasView_capped_cylinder McXtrace Component
 11.10  The SasView_capped_cylinder_aniso McXtrace Component
 11.11  The SasView_core_multi_shell McXtrace Component
 11.12  The SasView_core_shell_bicelle McXtrace Component
 11.13  The SasView_core_shell_bicelle_aniso McXtrace Component
 11.14  The SasView_core_shell_bicelle_elliptical McXtrace Component
 11.15  The SasView_core_shell_bicelle_elliptical_aniso McXtrace Component
 11.16  The SasView_core_shell_bicelle_elliptical_belt_rough McXtrace Component
 11.17  The SasView_core_shell_bicelle_elliptical_belt_rough_aniso McXtrace Component
 11.18  The SasView_core_shell_cylinder McXtrace Component
 11.19  The SasView_core_shell_cylinder_aniso McXtrace Component
 11.20  The SasView_core_shell_ellipsoid McXtrace Component
 11.21  The SasView_core_shell_ellipsoid_aniso McXtrace Component
 11.22  The SasView_core_shell_parallelepiped McXtrace Component
 11.23  The SasView_core_shell_parallelepiped_aniso McXtrace Component
 11.24  The SasView_core_shell_sphere McXtrace Component
 11.25  The SasView_correlation_length McXtrace Component
 11.26  The SasView_cylinder McXtrace Component
 11.27  The SasView_cylinder_aniso McXtrace Component
 11.28  The SasView_dab McXtrace Component
 11.29  The SasView_ellipsoid McXtrace Component
 11.30  The SasView_ellipsoid_aniso McXtrace Component
 11.31  The SasView_elliptical_cylinder McXtrace Component
 11.32  The SasView_elliptical_cylinder_aniso McXtrace Component
 11.33  The SasView_fcc_paracrystal McXtrace Component
 11.34  The SasView_fcc_paracrystal_aniso McXtrace Component
 11.35  The SasView_flexible_cylinder McXtrace Component
 11.36  The SasView_flexible_cylinder_elliptical McXtrace Component
 11.37  The SasView_fractal McXtrace Component
 11.38  The SasView_fractal_core_shell McXtrace Component
 11.39  The SasView_fuzzy_sphere McXtrace Component
 11.40  The SasView_gauss_lorentz_gel McXtrace Component
 11.41  The SasView_gaussian_peak McXtrace Component
 11.42  The SasView_gel_fit McXtrace Component
 11.43  The SasView_guinier McXtrace Component
 11.44  The SasView_guinier_porod McXtrace Component
 11.45  The SasView_hardsphere McXtrace Component
 11.46  The SasView_hayter_msa McXtrace Component
 11.47  The SasView_hollow_cylinder McXtrace Component
 11.48  The SasView_hollow_cylinder_aniso McXtrace Component
 11.49  The SasView_hollow_rectangular_prism McXtrace Component
 11.50  The SasView_hollow_rectangular_prism_aniso McXtrace Component
 11.51  The SasView_hollow_rectangular_prism_thin_walls McXtrace Component
 11.52  The SasView_lamellar_hg McXtrace Component
 11.53  The SasView_lamellar_hg_stack_caille McXtrace Component
 11.54  The SasView_lamellar_stack_caille McXtrace Component
 11.55  The SasView_lamellar_stack_paracrystal McXtrace Component
 11.56  The SasView_line McXtrace Component
 11.57  The SasView_linear_pearls McXtrace Component
 11.58  The SasView_lorentz McXtrace Component
 11.59  The SasView_mass_fractal McXtrace Component
 11.60  The SasView_mass_surface_fractal McXtrace Component
 11.61  The SasView_mono_gauss_coil McXtrace Component
 11.62  The SasView_multilayer_vesicle McXtrace Component
 11.63  The SasView_onion McXtrace Component
 11.64  The SasView_parallelepiped McXtrace Component
 11.65  The SasView_parallelepiped_aniso McXtrace Component
 11.66  The SasView_peak_lorentz McXtrace Component
 11.67  The SasView_pearl_necklace McXtrace Component
 11.68  The SasView_poly_gauss_coil McXtrace Component
 11.69  The SasView_polymer_excl_volume McXtrace Component
 11.70  The SasView_polymer_micelle McXtrace Component
 11.71  The SasView_porod McXtrace Component
 11.72  The SasView_power_law McXtrace Component
 11.73  The SasView_pringle McXtrace Component
 11.74  The SasView_raspberry McXtrace Component
 11.75  The SasView_rectangular_prism McXtrace Component
 11.76  The SasView_rectangular_prism_aniso McXtrace Component
 11.77  The SasView_rpa McXtrace Component
 11.78  The SasView_sc_paracrystal McXtrace Component
 11.79  The SasView_sc_paracrystal_aniso McXtrace Component
 11.80  The SasView_sphere McXtrace Component
 11.81  The SasView_spinodal McXtrace Component
 11.82  The SasView_squarewell McXtrace Component
 11.83  The SasView_stacked_disks McXtrace Component
 11.84  The SasView_stacked_disks_aniso McXtrace Component
 11.85  The SasView_star_polymer McXtrace Component
 11.86  The SasView_stickyhardsphere McXtrace Component
 11.87  The SasView_superball McXtrace Component
 11.88  The SasView_superball_aniso McXtrace Component
 11.89  The SasView_surface_fractal McXtrace Component
 11.90  The SasView_teubner_strey McXtrace Component
 11.91  The SasView_triaxial_ellipsoid McXtrace Component
 11.92  The SasView_triaxial_ellipsoid_aniso McXtrace Component
 11.93  The SasView_two_lorentzian McXtrace Component
 11.94  The SasView_two_power_law McXtrace Component
 11.95  The SasView_vesicle McXtrace Component
12  Contributed components
 12.1  Contributed optics: crystals, masks, and mirrors
 12.2  The Bragg_crystal_simple McXtrace Component
 12.3  The Bragg_crystal_BC McXtrace Component
 12.4  The Bragg_crystal_bent_BC McXtrace Component
 12.5  The Laue_crystal_BC McXtrace Component
 12.6  The Attenuating_mask McXtrace Component
 12.7  The Mirror_toroid_pothole McXtrace Component
 12.8  Contributed monitors and detectors
 12.9  The Detector_pn McXtrace Component
 12.10  The PSD_monitor_rad McXtrace Component
 12.11  The SAXSQMonitor McXtrace Component
 12.12  Contributed SAXS (small-angle X-ray scattering) samples
 12.13  The SAXSCurve McXtrace Component
 12.14  The SAXSSpheres McXtrace Component
 12.15  The SAXSCylinders McXtrace Component
 12.16  The SAXSEllipticCylinders McXtrace Component
 12.17  The SAXSShells McXtrace Component
 12.18  The SAXSLiposomes McXtrace Component
 12.19  The SAXSNanodiscs McXtrace Component
 12.20  The SAXSNanodiscsFast McXtrace Component
 12.21  The SAXSNanodiscsWithTags McXtrace Component
 12.22  The SAXSNanodiscsWithTagsFast McXtrace Component
 12.23  The SAXSPDB McXtrace Component
 12.24  The SAXSPDBFast McXtrace Component
13  Obsolete components
14  AstroX components: X-ray optics for astronomical instrumentation
 14.1  Sources
 14.2  The Source_extended McXtrace Component
 14.3  Mirror shells
 14.4  The Shell_c McXtrace Component
 14.5  The Shell_p McXtrace Component
 14.6  The Shell_h McXtrace Component
 14.7  Ring optics
 14.8  The Ring_c McXtrace Component
 14.9  The Ring_p McXtrace Component
 14.10  The Ring_h McXtrace Component
 14.11  Pore optics
 14.12  The Pore_c McXtrace Component
 14.13  The Pore_p McXtrace Component
 14.14  The Pore_h McXtrace Component
 14.15  Micropore/microchannel plate (MM) optics
 14.16  The MM_c McXtrace Component
 14.17  The MM_p McXtrace Component
 14.18  The MM_h McXtrace Component
A  Libraries and conversion constants
 A.1  Run-time calls and functions (mcxtrace-r)
  A.1.1  Photon propagation
  A.1.2  Coordinate and component variable retrieval
  A.1.3  Coordinate transformations
  A.1.4  Mathematical routines
  A.1.5  Output from detectors
  A.1.6  Ray-geometry intersections
  A.1.7  Random numbers
 A.2  Reading a data file into a vector/matrix (Table input, read_table-lib)
 A.3  Constants for unit conversion etc.
B  The McXtrace terminology
   Bibliography
   Index and keywords