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A Practical course in X-ray diffraction is taught once a year at the Chemistry Department of Texas A & M University.


X-ray Practicals    Room 2121  August 24-28 2009 Instructor:  Joseph Reibenspies  Ph.D.


This course is intended to teach students how to use the X-ray diffraction instrumentation available in the department.  See Course Materials TAB for details, class notes and data.

The XSEED tutorial is part of a LAPTOP university course. Students are encouraged to download the programs to their laptops and bring the laptops to class.The XSEED program can be downloaded from http://x-seed.net/ and will run without registration for the first 30 sessions.  Be sure to download POVRAY (http://www.povray.org/download/).

Files used in the tutorial are on the Course Materials TAB : Examples

WINGX download (not required, but useful) http://www.chem.gla.ac.uk/~louis/software/wingx/

All programs should be fully functional at the time of the class.  The instructor cannot spend class time setting up computers


2009 : Notes for Practical course.


2010 : Index Citric Acid

Citric Acid Data and Indexing Programs

2011 : Examples


Course Notes

Data Collection for Beginners
Data Collection for Advanced Users
Data Collection on the GADDS diffractometer

Data Collection on the APEXII diffractometer
Using COSMO for Data Collection Strategies
Data Reduction for Beginners
Data Reduction for Advanced Users
SADABS general Information
Using SADABS for Beginners
Using SADABS for Face Index Absorption Correction
SHELXTL for Beginners
X-Seed for Beginners

Crystallographic Information Files

Graphic Programs that will read SHELX files

How to model disorder with SHELXL

How to handle twinned crystal structures

How to find pseudo merohedral twins with PLATON

Structure Validation


Free Software

X-ray Lab manual (short version)