A new software for processing the radial symmetric diffractograms

Authors

Keywords:

дифрактограммы, визуализация, обработка изображений, структурный анализ, электронография, программные комплексы

Abstract

A novel software package for extracting the intensity distributions from radial symmetric diffractograms is described. The software provides advanced features for diffraction pattern processing and a kit of interactive user-friendly tools allowing visualization of each stage of processing. The tool supports the whole procedure of data extraction, starting with the digital image and creating a set of data ready to be used in structural analysis. The software has been tested during numerous molecular structure studies based on the gas electron diffraction technique and is used in experimental investigations at the Laboratory of Electron Diffraction of the Chemical Faculty of Moscow State University. This work was supported by the Russian Foundation for Basic Research (grant N 05-03-33034).

Author Biographies

I.V. Kochikov

D.M. Kovtun

Yu.I. Tarasov

References

  1. Paul D.W., Ewbank J.D., Benston O.J., Schдfer L. Processor Controlled Multichannel Microdensitometry for Gas Electron Diffraction Patterns // Appl. Spectrosc. 1983. T.37. 127-130.
  2. Shindo D., Hiraga K., Oikawa T., Mori N. Quantification of electron diffraction with imaging plate // J. Electron Microsc. 1990. T.39, N 6. 449-453.
  3. Iijima T., Suzuki W., Yano Y.F. Use of Imaging plates in gas phase electron diffraction // Jpn. J. Appl. Phys. 1998. T.37, N 9A. 5064-5065.
  4. Fukushima I., Shibahara H., and Ogura N. Quantitative measurements of optical diffractogram using imaging plate // J. Electron Microsc. 1999. T.48 N 3. 253-255.
  5. Gundersen S., Samdal S., Strand T.G., Volden H.V. Benzene; high level quantum chemical calculations, gas electron diffraction pattern recorded on Fuji imaging plates and a method to explore systematic discrepancies which was used to determine an improved sector correction // J. Mol. Struct. 2007. T.832, N 1-3, 164-171.
  6. Gundersen S., Strand T.G. A commercial scanner applied as a microdensitometer for gas electron diffraction photographic plates // J. Appl. Cryst. 1996. T.29. 638-645.
  7. Zakharov A.V., Girichev G.V. Photometry and preprocessing experimental data in electron diffraction // Electronic Research Journal «Issledovano v Rossii» (http://zhurnal.ape.relarn.ru/articles/2007/078.pdf, in Russian).
  8. Kochikov I.V., Tarasov Yu.I., Ivanov A.A. On determination of the response characteristics of detectors used in gas electron diffraction // J. Struct. Chem. 2007. T.48, N 3. 558-563 (in Russian ed., 598-603).
  9. Vishnevsky Yu.I. The initial processing of the gas electron diffraction data: An improved method for obtaining intensity curves from diffraction patterns // J. Mol. Struct. 2007. T.833. 30-41.
  10. Tarasov Yu.I., Kochikov I.V., Vogt N., Stepanova A.V., Kovtun D.M., Ivanov A.A., Rykov A.N., Deyanov R.Z., Novosadov B.K., Vogt J. Electron diffraction and quantum chemical study of the structure and internal rotation in nitroethane // J. Mol. Struct. 2008. T.872. 150-165.
  11. Tarasov Yu.I., Kochikov I.V., Kovtun D. M. Modeling of scattering on the residual gas in an electron diffraction experiment // J. Struct. Chem. 2007. T.48, N 3. 564-568 (in Russian ed., 604-608).

Downloads

Published

02-10-2008

How to Cite

Кочиков И.В., Ковтун Д.М., Тарасов Ю.И. A New Software for Processing the Radial Symmetric Diffractograms // Numerical Methods and Programming (Vychislitel’nye Metody i Programmirovanie). 2008. 9. 12-18

Issue

Section

Section 2. Programming

Most read articles by the same author(s)