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High Pressure Research
An International Journal
Volume 28, 2008 - Issue 3: SYNCHROTON HIGH-PRESSURE MINERAL PHYSICS AND MATERIALS SCIENCE
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Special Techniques Relevant to High-Pressure Studies

The development of an automated data analysis system for high-pressure powder diffraction data collected using an area detector

J. Yan Advanced Light Source, Lawrence Berkeley National Laboratory, Berkeley, CA, USA; Department of Geosciences, Virginia Tech, Blacksburg, VA, USA
,
P. D. Adams Physical Biosciences, Lawrence Berkeley National Laboratory, Berkeley, CA, USA
,
R. J. Angel Department of Geosciences, Virginia Tech, Blacksburg, VA, USA
,
N. L. Ross Department of Geosciences, Virginia Tech, Blacksburg, VA, USA
,
M. Rivers GSE_CARS, Advanced Photon Source, Argonne National Laboratory, Argonne, IL, USA
,
J. B. Parise Department of Earth Sciences, Stony Brook University, Stony Brook, NY, USA
&
S. M. Clark Advanced Light Source, Lawrence Berkeley National Laboratory, Berkeley, CA, USACorrespondence[email protected]
 show all
Pages 293-298 | Received 29 Jan 2008, Published online: 10 Oct 2008

References

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  • Grosse-Kunstleve , R. W. , Sauter , N. K. , Moriarty , N. W. and Adams , P. D. 2002 . The computational crystallography toolbox: crystallographic algorithms in a reusable software framework . J. Appl. Cryst. , 35 : 126 – 136 .
  • Cheetham , A. K. and Wilkinson , J. J. 1991 . Structure determination and refinement with synchrotron X-ray powder diffraction data . J. Phys. Chem. Solids. , 52 : 1199 – 1208 .
  • Hammersley , A. P. , Svensson , S. O. , Thompson , A. , Graafsma , H. , Kvick , A. and Moy , J.-P. 1995 . Calibration and correction of distortions in two-dimensional detector systems . Rev. Sci. Instrum. , 66 : 2729 – 2733 .
  • LeBail , A. 1992 . Accuracy in Powder Diffraction II , Edited by: Prince , E. and Stalick , J. K. 213 Gaithersburg, MD : Special Publication 846, NIST .
  • Larson , A. C. and Von Dreele , R. B. 1994 . General Structure Analysis System (GSAS) Manual , NM Los Alamos : Los Alamos National Laboratory . LANSCE, MS-H805
  • Toby , B. H. 2001 . EXPGUI, a graphical user interface for GSAS . J. Appl. Cryst. , 34 : 210 – 213 .
  • Beazley , D. M. 1999 . Python Essential Reference , Berkeley : New Riders .
  • Adams , P. D. and Grosse-Kunstleve , R. W. 2000 . Recent developments in software for automation of crystallographic macromolecular structure determination . Curr. Opin. Struct. Biol , 10 : 564 – 568 .
  • Adams , P. D. 2004 . Recent developments in the PHENIX software for automated crystallographic structure determination . J. Synchrotron. Rad. , 11 : 53 – 55 .

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