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BRASS 2 – In der Werkzeugkiste (in the toolchest)

Johannes Birkenstock ,  Reinhard X. Fischer ,  Thomas Messner 

University of Bremen, Geosciences, Klagenfurter Str. 2, Bremen 28359, Germany

Abstract
The "toolchest" of BRASS is directly accessible via the BRASS job explorer. Windows®-typical behaviour is routinely provided – such as drag&drop, context sensitive menus, exploring by tree structure – and in addition many tasks are directly accessed via buttons on the related pages. The following main branches represent the major tools of BRASS (branch brass database not yet active):
  • raw data viewer: Display and overlay data of various file formats.
  • rietveld job: Run rietveld job and use direct links to e.g. structure model display, calculation of distances and angles and fourier calculations.
  • struplo job: Display crystal structure model with various options for versatile high quality drawings and perform various calculations with respect to the model (calculate distances and angles, calculate void volume after [1]).
  • fourier job: Calculates and displays fourier maps and lists of maxima and minima, either from a formatted file or directly when called from the current rietveld job.
  • grid search job: Displays grid search maps after calling a grid search run from the current rietveld job.

From the toolchest, among others, it will be demonstrated how to quantify a phase without having a structural model. The underlying procedure has been described earlier in [2] and [3].

[1] H. Küppers and F. Liebau (2004) On the determination of volumes and shapes of micropores in inorganic crystals. Zeitschrift für Kristallographie. Supplement Issue, 21, 120.

[2] J. Birkenstock, R.X. Fischer, T. Messner (2005): BRASS: Quantifying phases without structural model. Abstracts of the 83rd DMG-meeting.

[3] J. Birkenstock (2005): Absolute scaling of observed intensities for phase quantification using the Rietveld method. Abstracts of the 83rd DMG meeting.

 

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Presentation: Oral at 11th European Powder Diffraction Conference, Workshop WS1, by Johannes Birkenstock
See On-line Journal of 11th European Powder Diffraction Conference

Submitted: 2008-05-19 15:49
Revised:   2009-06-07 00:48