Xprep crystallography

Graphics Software

Mercury Mercury is provided by the Cambridge Structural Data Centre and is available for all types of operating systems

Structure Refinement Software

SHELXL-2018 THE crystal structure refinement program. It replaces the now deprecated XL-97 and earlier versions of Shelxl

What if xprep makes a recommendation for a crystal system?

Ignore the comment below the table about the original cell

4

11) If XPREP makes a recommendation for a crystal system, the recommendation will be enclosed in brackets, e

g [A], which stands for choice A

Write down the crystal system for that choice for future reference

What is xprep in SHELXL?

The program XPREP, part of the package, is commonly used to check a dataset for symmetry, assign a space group and set up files for use with solution programs such as XS, XM or XT

The files created by the package (*

ins and * res files) are the starting models in a crystal structure refinement process using Shelxl-2018

What is xprep software?

This program is proprietary software of Bruker AXS and requires a license

It may be used by students and faculty who are registered users of the Purdue X-ray facility

The program XPREP, part of the package, is commonly used to check a dataset for symmetry, assign a space group and set up files for use with solution programs such as XS, XM or XT


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