Home > Publications database > Automated processing of X-ray diffraction data from dynamic compression experiments at the Extreme Conditions Beamline of PETRA III > print

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100 1 _ |a Karnevskiy, Mikhail
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245 _ _ |a Automated processing of X-ray diffraction data from dynamic compression experiments at the Extreme Conditions Beamline of PETRA III
260 _ _ |a [Erscheinungsort nicht ermittelbar]
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500 _ _ |a (Deutsche Forschungsgemeinschaft, DFG) through ResearchUnit FOR 2440/2 (grant No. SA2585/5-1).
520 _ _ |a We present and discuss the implementation of a software solution that provides a prompt X-ray diffraction data analysis during fast dynamic compression experiments conducted within the dynamic diamond anvil cells technique. It includes efficient data collection, streaming of data and metadata to a high-performance cluster (HPC), fast azimuthal data integration on the cluster, and tools for controlling the data processing steps as well as visualizing the data using the DIOPTAS software package. The data processing pipeline discussed is invaluable for a great number of studies. Here, we illustrate the potential of the pipeline with two examples of data collected on ammonia-water mixtures and multiphase mineral assemblies under high-pressure. The pipeline is designed to be generic in nature and could be readily adapted to provide rapid feedback for many other X-ray diffraction techniques.
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700 1 _ |a Glazyrin, Konstantin
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700 1 _ |a Yu, Yuelong
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700 1 _ |a Mondal, Anshuman
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700 1 _ |a Sanchez-Valle, Carmen
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700 1 _ |a Marquardt, Hauke
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700 1 _ |a Barty, Anton
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700 1 _ |a Liermann, Hanns-Peter
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999 C 5 |a 10.1107/S1600576715004306
|9 -- missing cx lookup --
|1 Ashiotis
|p 510 -
|2 Crossref
|t J. Appl. Cryst.
|v 48
|y 2015
999 C 5 |a 10.1088/0067-0049/204/2/24
|9 -- missing cx lookup --
|1 Batalha
|p 24 -
|2 Crossref
|t Astrophys. J. Suppl.
|v 204
|y 2013
999 C 5 |a 10.1126/science.1234702
|9 -- missing cx lookup --
|1 Borucki
|p 587 -
|2 Crossref
|t Science
|v 340
|y 2013
999 C 5 |a 10.1126/science.1185402
|9 -- missing cx lookup --
|1 Borucki
|p 977 -
|2 Crossref
|t Science
|v 327
|y 2010
999 C 5 |a 10.1111/j.1365-246X.2011.05028.x
|9 -- missing cx lookup --
|1 Carpenter
|p 279 -
|2 Crossref
|t Geophys. J. Int.
|v 186
|y 2011
999 C 5 |a 10.17487/rfc1951
|9 -- missing cx lookup --
|2 Crossref
|u Deutsch, P. (1996). DEFLATE Compressed Data Format Specification. RFC 1952. Version 1.3. https://www.ietf.org/rfc/rfc1951.txt. Aladdin Enterprises, Menlo Park, California, USA.
999 C 5 |2 Crossref
|u Folk, M., Heber, G., Koziol, Q., Pourmal, E. & Robinson, D. (2011). Proceedings of the EDBT/ICDT 2011 Workshop on Array Databases, pp. 36-47. New York: ACM.
999 C 5 |a 10.1007/s11214-010-9633-3
|9 -- missing cx lookup --
|1 Fortes
|p 185 -
|2 Crossref
|t Space Sci. Rev.
|v 153
|y 2010
999 C 5 |a 10.1007/s11214-009-9582-x
|9 -- missing cx lookup --
|1 Fortney
|p 423 -
|2 Crossref
|t Space Sci. Rev.
|v 152
|y 2010
999 C 5 |a 10.1107/S0909049510011830
|9 -- missing cx lookup --
|1 Hintermüller
|p 550 -
|2 Crossref
|t J. Synchrotron Rad.
|v 17
|y 2010
999 C 5 |a 10.1063/1.336853
|9 -- missing cx lookup --
|1 Holian
|p 149 -
|2 Crossref
|t J. Appl. Phys.
|v 59
|y 1986
999 C 5 |a 10.1038/s41598-021-94260-y
|9 -- missing cx lookup --
|1 Husband
|p 14859 -
|2 Crossref
|t Sci. Rep.
|v 11
|y 2021
999 C 5 |a 10.1063/1.5098993
|9 -- missing cx lookup --
|1 Jenei
|p 065114 -
|2 Crossref
|t Rev. Sci. Instrum.
|v 90
|y 2019
999 C 5 |a 10.1007/s11214-019-0633-7
|9 -- missing cx lookup --
|1 Journaux
|p 7 -
|2 Crossref
|t Space Sci. Rev.
|v 216
|y 2020
999 C 5 |a 10.1107/S0021889813000150
|9 -- missing cx lookup --
|1 Knudsen
|p 537 -
|2 Crossref
|t J. Appl. Cryst.
|v 46
|y 2013
999 C 5 |a 10.1107/S1600576714027575
|9 -- missing cx lookup --
|1 Könnecke
|p 301 -
|2 Crossref
|t J. Appl. Cryst.
|v 48
|y 2015
999 C 5 |a 10.1016/j.pepi.2010.09.012
|9 -- missing cx lookup --
|1 Li
|p 473 -
|2 Crossref
|t Phys. Earth Planet. Inter.
|v 183
|y 2010
999 C 5 |a 10.1038/nature07230
|9 -- missing cx lookup --
|1 Li
|p 984 -
|2 Crossref
|t Nature
|v 454
|y 2008
999 C 5 |a 10.1107/S1600577515005937
|9 -- missing cx lookup --
|1 Liermann
|p 908 -
|2 Crossref
|t J. Synchrotron Rad.
|v 22
|y 2015
999 C 5 |a 10.1039/c2ra01156e
|9 -- missing cx lookup --
|2 Crossref
|u Ma, C., Li, F., Zhou, Q., Huang, F., Wang, J., Zhang, M., Wang, Z. & Cui, Q. (2012). RSC Adv. 2, 4920.
999 C 5 |a 10.1029/2018GL077982
|9 -- missing cx lookup --
|1 Marquardt
|p 6862 -
|2 Crossref
|t Geophys. Res. Lett.
|v 45
|y 2018
999 C 5 |a 10.1103/RevModPhys.84.1607
|9 -- missing cx lookup --
|1 McMahon
|p 1607 -
|2 Crossref
|t Rev. Mod. Phys.
|v 84
|y 2012
999 C 5 |a 10.1063/5.0007557
|9 -- missing cx lookup --
|1 Méndez
|p 073906 -
|2 Crossref
|t Rev. Sci. Instrum.
|v 91
|y 2020
999 C 5 |a 10.1103/PhysRevB.107.224108
|9 -- missing cx lookup --
|1 Mondal
|p 224108 -
|2 Crossref
|t Phys. Rev. B
|v 107
|y 2023
999 C 5 |a 10.1107/S1600576716005720
|9 -- missing cx lookup --
|1 Nakane
|p 1035 -
|2 Crossref
|t J. Appl. Cryst.
|v 49
|y 2016
999 C 5 |a 10.1063/1.5049720
|9 -- missing cx lookup --
|1 O'Bannon
|p 111501 -
|2 Crossref
|t Rev. Sci. Instrum.
|v 89
|y 2018
999 C 5 |a 10.1088/1742-6596/425/6/062010
|9 -- missing cx lookup --
|1 Pennicard
|p 062010 -
|2 Crossref
|t J. Phys. Conf. Ser.
|v 425
|y 2013
999 C 5 |a 10.1088/1748-0221/13/01/C01026
|9 -- missing cx lookup --
|1 Pennicard
|p C01026 -
|2 Crossref
|t J. Instrum.
|v 13
|y 2018
999 C 5 |a 10.1016/j.epsl.2015.11.013
|9 -- missing cx lookup --
|1 Perrillat
|p 360 -
|2 Crossref
|t Earth Planet. Sci. Lett.
|v 433
|y 2016
999 C 5 |a 10.1080/08957959.2015.1059835
|9 -- missing cx lookup --
|1 Prescher
|p 223 -
|2 Crossref
|t High. Press. Res.
|v 35
|y 2015
999 C 5 |a 10.1086/491669
|9 -- missing cx lookup --
|1 Rivera
|p 625 -
|2 Crossref
|t Astrophys. J.
|v 634
|y 2005
999 C 5 |a 10.1029/JB077i002p00315
|9 -- missing cx lookup --
|1 Thomsen
|p 315 -
|2 Crossref
|t J. Geophys. Res.
|v 77
|y 1972
999 C 5 |a 10.1016/j.epsl.2023.118296
|9 -- missing cx lookup --
|1 Trautner
|p 118296 -
|2 Crossref
|t Earth Planet. Sci. Lett.
|v 618
|y 2023
999 C 5 |a 10.1029/2023GL102740
|9 -- missing cx lookup --
|1 Wang
|p e2023GL102740 -
|2 Crossref
|t Geophys. Res. Lett.
|v 50
|y 2023
999 C 5 |a 10.1063/1.3686870
|9 -- missing cx lookup --
|1 Wilson
|p 094506 -
|2 Crossref
|t J. Chem. Phys.
|v 136
|y 2012
999 C 5 |a 10.1063/1.4913684
|9 -- missing cx lookup --
|1 Wilson
|p 094707 -
|2 Crossref
|t J. Chem. Phys.
|v 142
|y 2015
999 C 5 |a 10.1007/10968987_3
|9 -- missing cx lookup --
|2 Crossref
|u Yoo, A. B., Jette, M. A. & Grondona, M. (2003). Job Scheduling Strategies for Parallel Processing, Lecture Notes in Computer Science, Vol. 2862, pp. 44-60. Amsterdam: Elsevier.

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