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Absolute Structure determination

Rob WW. Hooft. March 2011: A screencast. Was made to show how to use PLATON to determine the absolute structure using our method. March 2011: We have found a mistake in a formula in our 2009 paper on using the t-distribution in probability plots. See: Erratum. February 2011: Our method is now implemented and automatically run in OLEX2. August 2010: Our paper entitled Using the t-distribution to improve the absolute structure assignment with likelihood calculations. You do not only get a qualitative assig...

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Absolute Structure determination | absolutestructure.com Reviews

<META> DESCRIPTION

Rob WW. Hooft. March 2011: A screencast. Was made to show how to use PLATON to determine the absolute structure using our method. March 2011: We have found a mistake in a formula in our 2009 paper on using the t-distribution in probability plots. See: Erratum. February 2011: Our method is now implemented and automatically run in OLEX2. August 2010: Our paper entitled Using the t-distribution to improve the absolute structure assignment with likelihood calculations. You do not only get a qualitative assig...

<META> KEYWORDS

1 the method

2 absolute structure

3 main

4 method in brief

5 platon screencast

6 software

7 platon

8 crystals

9 background

10 bibliography

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the method,absolute structure,main,method in brief,platon screencast,software,platon,crystals,background,bibliography,presentations,wordle,email me,absolute structure determination,latest news,a value y,in olex2,and in crystals,further reading

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Absolute Structure determination | absolutestructure.com Reviews

https://absolutestructure.com

Rob WW. Hooft. March 2011: A screencast. Was made to show how to use PLATON to determine the absolute structure using our method. March 2011: We have found a mistake in a formula in our 2009 paper on using the t-distribution in probability plots. See: Erratum. February 2011: Our method is now implemented and automatically run in OLEX2. August 2010: Our paper entitled Using the t-distribution to improve the absolute structure assignment with likelihood calculations. You do not only get a qualitative assig...

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absolutestructure.com

1

Erratum in our 2009 paper.

http://www.absolutestructure.com/erratum-paper2

Rob WW. Hooft. Mistake in a formula. In Formula 7 of our 2009 paper on the use of the t distribution in probability plots, the label "x" should be replaced by a "z".

2

Presentations about absolute structure determination using the Bayesian statistics / maximum likelihood method

http://www.absolutestructure.com/presentations.html

Rob WW. Hooft. This is a chronological list of presentations about absolute structure determination using the Bayesian statistics / maximum likelihood method. Some of these are given by the authors, others by users. At ECM 2006 in Leuven:. The Bayesian approach to absolute structure determination. Rob W W. Hooft, Leo H. Straver and Anthony L. Spek, Acta Cryst. At Organon, Oss, 25 januari 2007:. Absolute Structure Determination of Chiral Molecules. Anthony L. Spek. At ACA 2007 in Salt Lake City:. Rob WW&#...

3

Literature related to absolute structure determination

http://www.absolutestructure.com/bibliography.html

Rob WW. Hooft. Beurskens, G., Noordik, J.H., Beurskens, P.T. (1980). Cryst. Struct. Comm. Bijvoet, J.M., Peerdeman, A.F. and van Bommel, A.J., (1951). Nature. 271-272. (Reference at Nature.com). Determination of the Absolute Configuration of Optically Active Compounds by Means of X-Rays. Dittrich, B., Strumpel, M., Schäfer, M., Spackman, M.A. and Koritsánszky, T. (2006). Acta Cryst. 217-223. (Buy at IUCr). Invarioms for improved absolute structure determination of light-atom crystal structures. H D Flack...

4

Wordle representation of the paper

http://www.absolutestructure.com/wordle.html

Rob WW. Hooft. Wordle representation of the paper.

5

The method, in brief

http://www.absolutestructure.com/inbrief

Rob WW. Hooft. A brief description of the principles of our method. In a structure without classical heavy atoms, no single reflection or Bijvoet pair contains enough information to make the distinction between the two enantiomeric structures. We therefore must find a way to use the collective information in all Bijvoet pairs to make the decision. Older methods to determine absolute structure suffer from minor problems. They really are minor, but for difficult problems where the anomalous scattering ...

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Absolute Structure determination

Rob WW. Hooft. March 2011: A screencast. Was made to show how to use PLATON to determine the absolute structure using our method. March 2011: We have found a mistake in a formula in our 2009 paper on using the t-distribution in probability plots. See: Erratum. February 2011: Our method is now implemented and automatically run in OLEX2. August 2010: Our paper entitled Using the t-distribution to improve the absolute structure assignment with likelihood calculations. You do not only get a qualitative assig...

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