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Information, Textbooks, Media, Resources
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An Excel Spreadsheet for a One-Dimensional Fourier Map in X-ray Crystallography
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William Clegg
Chemical Crystallography Group, School of Natural Sciences (Chemistry), University of Newcastle, Newcastle upon Tyne NE1 7RU, United Kingdom
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June 2004
Vol. 81 No. 6
p. 908
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| Abstract |
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A Microsoft Excel spreadsheet, available online and from the author, is described. It calculates and graphically displays a one-dimensional electron density for a crystal structure and provides a convenient visual aid in the teaching of X-ray crystallography, particularly at the undergraduate level. The spreadsheet, as provided, includes data for the real crystal structure of a bromo-substituted long-chain aliphatic carboxylic acid, so that a variety of Fourier syntheses can be illustrated, including both Patterson and direct methods for solving crystal structures. Other data can easily be substituted. The spreadsheet is easily driven by a set of simple button-operated macros. It can be used in a classroom setting or, with a suitable explanatory text, as a self-teaching exercise.
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| Supplement |
The complete spreadsheet is available.
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 Contents |
JCE2004p0908W.xls (Microsoft Excel)
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| Download |
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| More Information |
Citation |
Clegg, William. J. Chem. Educ. 2004 81 908.
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Keywords |
Fourier Transform Techniques; Laboratory Instruction; Spreadsheets; Teaching / Learning Aids; X-ray Crystallography
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History |
Created:
Last Updated: |
May 2, 2004
January 21, 2005
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| Home > JCE Print > Journal of Chemical Education > Issues >
2004
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