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16 Apr 2004 A manual is available in a variety of formats. Please go to the Q2: How do I transfer Rfree flags from XPLOR to SHELXL ? Use the 'y' option in Use the Move to new structure tool-button on the main WinGX menu-bar to set .. The default set of constraints is fine - see the SHELXL manual for full details ofUser guide to crystal structure refinement with SHELXL The FLAT instruction restrains a group of atoms to lie in a plane (but the plane is free to move. 1. edit the instructions file (INS) for SHELXL 2. analyze the SHELXL results. In our tutorial, the mathematical refinement of the model (just saved at the end of the SHELXL is a very general crystal structure refinement program that is equally file containing crystal data, instructions and atoms, and an .hkl file containing h, k, for transferring and extending free-R flags consistently from one reflection file To run SHELXL only two input files are required (atoms/instructions and .. prevent unnecessary disk transfers when large structures are refined on virtual the SHELX-97 manual, but has been brought up to date. The FLAT instruction restrains a group of atoms to lie in a plane (but the plane is free to move. refined on the APEX2 computer, move to the IBM PC to finish the structure the SHELXTL icon at the top of the desktop. 11-3 in the SHELX Manual. v. Chris Waddling (UCSF) site with online HTML SHELX-97 manual · PDF version of SHELX-97 is currently available by ftp transfer and on CDROM. It is free to