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A spreadsheet for predicting the peaks in radiocrystallography

  1. Jul 2, 2011 #1
    In the frame of an expertise for the international court of commerce, I had to confront a diffractogram commented by a faker (an international crook), and the real rays by the real minerals.
    So I developped a model of spreadsheet giving all the possible rays for a given crystalline lattice, and the [itex]K_\alpha[/itex] of an anticathode metal.
    Of course, it gives lots of false positives for a real mineral or metal, as the motive in the cell is not taken into account.
    During three weeks, I was very upset, because of a false negative in the spectrogram of the diaspore. But it was a mere error of copy in an old document printed in 1963, reprinting a previous paper. So now I garantee there are no false negatives.

    You'll find it at http://deonto-ethics.org/resources/chlorite.xls tuned for chlorite.
    You just have six values to change for another crystal, and one value for another anticathode. You can read and use it with OpenOffice.org Calc, it works.

    More explanations at http://deonto-ethics.org/resources/Corrige_expertise.html and http://deonto-ethics.org/impostures/index.php/topic,133.0.html
    A printed lecture for the metric relations :
    Sirotine, Chaskolaskaïa. Fondements de la physique des cristaux. Mir 1979 ; 1984 pour la traduction française ; Moscou.
    And inline, my own lecture : http://jacques.lavau.perso.sfr.fr/syntaxe3.pdf
    Of course, we give the same metrics...
     
    Last edited by a moderator: Apr 26, 2017
  2. jcsd
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