----- header of xcrystal.pro extracted on: Fri May 31 15:31:06 2013 ----- Documentation for /scisoft/xop2.3/src_idl/optics/xcrystal.pro ----- ================================= xcrystal ================================ Xcrystal is a widget based graphical interface to calculate diffraction profiles of perfect and mosaic crystals. It allows Bragg and Laue geometries and (in the case of perfect crystals) diffracted and transmitted intensity calculations. The diffracted intensity can be calculated as a function of either rock angle or photon energy. It uses the DABAX database to define the crystal structure and to retrieve the scattering factors to build the crystal structure factors. It interfaces diff_pat, a computer program written by M. Sanchez del Rio (srio@esrf.fr) derived from the SHADOW application bragg. DESCRIPTION OF THE CONTROLS IN THE MAIN WINDOW: File: Xcrystal input parameters: This option allows to save the current parameters to a file for later loading. It also allows to save the current parameters as defaults for being used when the application is initialized. In the last case, the file is named "application".xop (where "application " is the name of the current XOP application) and is written in the directory pointed by the XOP_DEFAULTS_DIR environment variable (which must be set). The parameter file is ASCII and can be read and edited with care. Quit: to exit from the program Set_Parameters: Set Parameters: to define the parameters for the calculation. The same result is obtained pressing the "Set Parameters" button in the main XCrystal window. Please refer to the information under the HELP button for a complete description of the parameters. After pressing the ACCEPT button, diff_pat starts running. Set Defaults: Sets the default parameters. Show: Display results Diffraction Curve: starts a graphical window with the calculation results. Crystal Parameters: shows output parameters of the calculation. Crystallographic Parameters: shows numerical values used to build the crystal structure factor. Help: Shows the xcrystal help (this text). COPYRIGHT: XCRYSTAL belongs to XOP package and it is distributed within XOP. PLEASE REFER TO THE XOP COPYRIGHT NOTICE REFERENCE: Published calculations made with XOP should refer: M. Sanchez del Rio and R. J. Dejus "Status of XOP: an x-ray optics software toolkit" SPIE Proceedings Vol. 5536 (2004) pp.171-174 http://dx.doi.org/10.1117/12.560903 In addition, published calculations with the xcrystal_bent aplication should also cite: M. Sanchez del Rio, C. Ferrero and V. Mocella. "Computer simulations of bent perfect crystal diffraction profiles" SPIE proceedings vol. 3151, pp.312-323, 1997. LAST MODIFICATION: srio@esrf.eu 2008-02-01