Literature DB >> 26919377

Analysis of multicrystal pump-probe data sets. II. Scaling of ratio data sets.

Bertrand Fournier1, Jesse Sokolow1, Philip Coppens1.   

Abstract

Two methods for scaling of multicrystal data collected in time-resolved photocrystallography experiments are discussed. The WLS method is based on a weighted least-squares refinement of laser-ON/laser-OFF intensity ratios. The other, previously applied, is based on the average absolute system response to light exposure. A more advanced application of these methods for scaling within a data set, necessary because of frequent anisotropy of light absorption in crystalline samples, is proposed. The methods are applied to recently collected synchrotron data on the tetra-nuclear compound Ag2Cu2L4 with L = 2-diphenylphosphino-3-methylindole. A statistical analysis of the weighted least-squares refinement residual terms is performed to test the importance of the scaling procedure.

Entities:  

Keywords:  RATIO method; absorption anisotropy; data scaling; photocrystallography; residual analysis

Mesh:

Substances:

Year:  2016        PMID: 26919377      PMCID: PMC4770874          DOI: 10.1107/S2053273315024055

Source DB:  PubMed          Journal:  Acta Crystallogr A Found Adv        ISSN: 2053-2733            Impact factor:   2.290


  13 in total

1.  The LaueUtil toolkit for Laue photocrystallography. I. Rapid orientation matrix determination for intermediate-size-unit-cell Laue data.

Authors:  Jarosław A Kalinowski; Anna Makal; Philip Coppens
Journal:  J Appl Crystallogr       Date:  2011-10-29       Impact factor: 3.304

2.  The LaueUtil toolkit for Laue photocrystallography. II. Spot finding and integration.

Authors:  Jarosław A Kalinowski; Bertrand Fournier; Anna Makal; Philip Coppens
Journal:  J Synchrotron Radiat       Date:  2012-06-12       Impact factor: 2.616

3.  On the refinement of time-resolved diffraction data: comparison of the random-distribution and cluster-formation models and analysis of the light-induced increase in the atomic displacement parameters.

Authors:  Ivan I Vorontsov; Philip Coppens
Journal:  J Synchrotron Radiat       Date:  2005-06-15       Impact factor: 2.616

4.  The RATIO method for time-resolved Laue crystallography.

Authors:  Philip Coppens; Mateusz Pitak; Milan Gembicky; Marc Messerschmidt; Stephan Scheins; Jason Benedict; Shin Ichi Adachi; Tokushi Sato; Shunsuke Nozawa; Kohei Ichiyanagi; Matthieu Chollet; Shin Ya Koshihara
Journal:  J Synchrotron Radiat       Date:  2009-01-10       Impact factor: 2.616

5.  The development of Laue techniques for single-pulse diffraction of chemical complexes: time-resolved Laue diffraction on a binuclear rhodium metal-organic complex.

Authors:  Anna Makal; Elzbieta Trzop; Jesse Sokolow; Jaroslaw Kalinowski; Jason Benedict; Philip Coppens
Journal:  Acta Crystallogr A       Date:  2011-05-10       Impact factor: 2.290

6.  More about systematic errors in charge-density studies.

Authors:  Julian Henn; Kathrin Meindl
Journal:  Acta Crystallogr A Found Adv       Date:  2014-08-30       Impact factor: 2.290

7.  Analysis of multicrystal pump-probe data sets. I. Expressions for the RATIO model.

Authors:  Bertrand Fournier; Philip Coppens
Journal:  Acta Crystallogr A Found Adv       Date:  2014-08-30       Impact factor: 2.290

8.  On the assessment of time-resolved diffraction results.

Authors:  Bertrand Fournier; Philip Coppens
Journal:  Acta Crystallogr A Found Adv       Date:  2014-05-02       Impact factor: 2.290

9.  Shedding light on the photochemistry of coinage-metal phosphorescent materials: a time-resolved Laue diffraction study of an Ag(I)-Cu(I) tetranuclear complex.

Authors:  Katarzyna N Jarzembska; Radosław Kamiński; Bertrand Fournier; Elżbieta Trzop; Jesse D Sokolow; Robert Henning; Yang Chen; Philip Coppens
Journal:  Inorg Chem       Date:  2014-09-19       Impact factor: 5.165

10.  New methods in time-resolved Laue pump-probe crystallography at synchrotron sources.

Authors:  Philip Coppens; Bertrand Fournier
Journal:  J Synchrotron Radiat       Date:  2015-01-28       Impact factor: 2.616

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