http://xray.chem.ualberta.ca/xray/shelxl/SUMP.htm http://www.csb.yale.edu/userguides/datamanip/shelx/97/ch_6.pdf

1 Back to TOP - univ-rennes1.fr

Webcommand, the appropriate Uij constraints will be added by the program. If sof is left out, it will be fixed at the appropriate value of 1 for a general position and less than 1 for a … Weblines containing of 4 letter command codes that control the refinement and model, then a series of lines with the atomic coordinated etc, and finally an HKLF command to indicate the type of input data (hkl file) and the command end to signal the end of the program readable file. • The command REM comments out a line. cpf long form

Refinement of Disorder with SHELXL - Massachusetts Institute of …

Webof the SHELX-97 system. SHELXD is a stand-alone executable and does not require any other program, initialization files or environment variables etc. The input to SHELXD consists of two files, NAME.INS and NAME.HKL. The .HKL file has the standard SHELX format and with the exception of two or three instructions in the .INS file is very similar to WebMar 14, 2009 · Well feel free to share your Shelx questions, in all forms XL, WinGX versions, Shelx versions, we take the lot and then your wondering what about general commands … WebOct 21, 2014 · The improvements in the crystal structure refinement program SHELXL have been closely coupled with the development and increasing importance of the CIF … disney world vacations specials