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Natural Science Forum / Physics / Research / August 2008



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Fourier transforms in crystallography

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kvlalitha1@gmail.com - 21 Aug 2008 03:26 GMT
Can anyone please briefly explain as to what role fourier transforms
play in x-ray crystallography ?
Suggest some books or online links to know more on this aspect ...
zak - 21 Aug 2008 20:17 GMT
On Aug 21, 3:26=A0am, "kvlalit...@gmail.com" <kvlalit...@gmail.com>
wrote:
> Can anyone please briefly explain as to what role fourier transforms
> play in x-ray crystallography ?
> Suggest some books or online links to know more on this aspect ...

Roughly speaking the Fourier transform of the diffraction pattern
yields the electronic density, from which the positions of the nuclei
are elucidated. Crystals by their very nature have regularly arranged
nuclei so this is reflected in the highly symmetrical diffraction
pattern of these materials. Try Ashcroft & Mermin a classic in the
field.
Zak
Arnold Neumaier - 21 Aug 2008 20:17 GMT
kvlalitha1@gmail.com schrieb:
> Can anyone please briefly explain as to what role fourier transforms
> play in x-ray crystallography ?
> Suggest some books or online links to know more on this aspect ...

Measured is the absolute value of the Fourier transform of the signal.
The inverse problem (difficult since the phases are not available)
produces the desired structural information about a molecule.

C Giacovazzo (ed.)
Fundamentals of Crystallography
Oxford University Press 1992

is readable and fairly comprehensive.

Arnold Neumaier
Dr J R Stockton - 22 Aug 2008 14:30 GMT
In sci.physics.research message <fb1cf377-945a-41cc-a848-059df9a6a1d0@v1
3g2000pro.googlegroups.com>, Thu, 21 Aug 2008 02:26:36,
"kvlalitha1@gmail.com" <kvlalitha1@gmail.com> posted:
>Can anyone please briefly explain as to what role fourier transforms
>play in x-ray crystallography ?
>Suggest some books or online links to know more on this aspect ...

Try searching for "Henry Lipson" (one person) and "Henry Lipson and
Wooster" (three people).

And <http://en.wikipedia.org/wiki/X-ray_crystallography>.

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