10-21-2009

The new inorganic Structural Database interface is available.

http://icsd.fiz-karlsruhe.de/icsd/

This interface allows the user much more control over the search / match criteria.

You should be able access it from all campus web addresses.

When you log in you should see this page.  Please let me know if you see something different.

The Cambridge Data Base has been updated (Sept 2009).

 

8-11-09

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

Synopsis.   

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

 

7-16-2009 New ICSD web interface.

The new inorganic Structural Database interface is available.

http://icsd.fiz-karlsruhe.de/icsd/

This interface allows the user much more control over the search / match criteria.

You should be able access it from all campus web addresses.

When you log in you should see this page.  Please let me know if you see something different.

Joe

6-29-2009 Web page update. New manuals.

6-18-2009

New tutorials on COOT added to the Help Desk.

5-25-2009

The third CSD data update for the 2009 release of CSDS v530/ConQuest 1.11, with 10821 new entries, has been installed on xray.chem.tamu.edu

5-12-2009

Small angle sealed tube instrument is available for use. The instrument has been re-aligned and can collect data to 2deg theta (Cu, 22A, q=0.284/A).

5-5-2009

ICSD database has been updated. See ICSD start

4-25-2009

FR591 down for repair/anode replacement

Sealed tube SAXS is available.

3-23-2009

Construction begins on the 4th floor Chemistry ANNEX. Expect interruption of services.

2-12-2009

Cambridge Crystallographic Database has been updated with the February 2009 release. ~ 9000 new structures added.

See Support / Crystallographic databases for details

1-22-2009

ICSD database updated

The Inorganic Crystal Structure Database (ICSD) database now contains  117,058 fully 
determined crystal structures for which the atom coordinates  have been obtained 
from experimental data. During the re-evaluation and  update procedure 4,558 new 
entries were added, 3,629 entries modified and  483 entries removed after extensive 
testing and duplicate checking;  furthermore 9,304 crystal structures from the 
NIST Metals data were added.  The bibliographic data has been thoroughly revised

goto Support/Crystallographic Database/ICSD to access the database

1-5-2009

The MWPC detector for the GADDS was returned to the vendor for re-gas and routine maintenance. The process normally takes 2 to three weeks.

News 12-10-2008
Dr Bhuvanesh and I attended the Advanced Crystallography Workshop at the Advanced Photon Source, Argonne National Laboratory on December 3-5 where we were trained to use the synchrotron to exam micro-crystals.  While in attendance we collected three data sets on small and poorly scattering crystals on the ChemMatCar (ID-BM-15).   Our training now enables us to collect data on the national synchrotron source on micro-crystals.  We are now establishing methodology for submission of micro and macromolecular crystals either through direct proposal and beam time or through the service sample protocol.  See http://cars9.uchicago.edu/chemmat/pages/microxtallography.html for details

News 12-1-2008
X-ray Powder service at the synchrotron.  The X-ray diffraction laboratory has recently collected two X-ray powder data sets on the BM-11 X-ray powder service line at the APS Argonne National Laboratory.  This service is free and has been streamed lined for rapid data collection.  See http://11bm.xor.aps.anl.gov/.  Please contact us for details.

11/12/2008 - APEX2_i updated to version 2008-6

9/16/2008  Amendments for X-ray Diffraction Usage Rules

Approved  9/15/2008

New Policy Additions Sept.  15 2008

These new policies have been agreed to be the User’s Committee and will take effect November 1 2008.

 

1.      Users must reserve time through the Calendar Reservation system.

2.      The calendar reservation will be limited to 30 days for the APEXII diffractometer (APEX2_i, room 2409), the D8 APEXII diffractometer (APEX2_ii, room 1424), the SMART1000 diffractometer (workstation 1 and 2)  and the GADDS diffractometer.  The APEX2 (SMART_iii, room 1424) will be limited to 7 days in advance.

3.      No user will stop a data collection unless instructed to do so by the facility manager and then only for good cause.         

a.     Users must leave a note if they know their data collection will overrun the next allotted time period, with their 24/7 telephone contact number. 

b.     The Calendar Reservation will be displayed for each diffractometer so that users will know who the next user is and possibly contact them in case their data collection overruns their time.

4.      No user will reserve two consecutive days on the APEXII CCD Diffractometers. 

See Policies and Procedures

9/8/2008

New Instruments Installed.

8/18/08

Check out our new book : Principles and Applications of Powder Diffraction

7/11/08

The RAG/SAXS is now operational.

7/11/08

 The new Lynxeye X-ray Detector has been installed on the D8 Powder Diffractometer.  The detector is about 200 times more sensitive than the older  detector.   Also the Commander program has been installed to run the detector and the diffractometer.

See POWER DATA COLLECTION TUTORIAL for more details.

6/20/2008

Web based reservation system installed for Powder Instrument.  This system will allow users to reserve and manage their instrument usage on-line.  Rules for instrument usage will not change.  See Reservation section for more details

5/21/2008

Data base links fixed

5/12/2008 

Tool box added for crystallographic calculations.

E-mail and forms fixed.

4/1/2008

New Web Interface for the X-ray Diffraction Laboratory.

The new web interface complies with Texas A & M Universities "Marking" Policy.  
TAMU web pages should have a similar "look and feel"

All links and figures have been updated and some older images deleted.

Enjoy

JHR