Literature DB >> 25176997

More about systematic errors in charge-density studies.

Julian Henn1, Kathrin Meindl2.   

Abstract

In order to detect and graphically visualize the absence or presence of systematic errors in fit data, conditional probabilities are employed to analyze the statistical independence or dependence of fit residuals. This concept is completely general and applicable to all scientific fields in which model parameters are fitted to experimental data. The applications presented in this work refer to published charge-density data.

Keywords:  charge-density studies; conditional probability; quality indicators; statistical independence; systematic errors

Year:  2014        PMID: 25176997     DOI: 10.1107/S2053273314012984

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


  2 in total

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

Authors:  Bertrand Fournier; Jesse Sokolow; Philip Coppens
Journal:  Acta Crystallogr A Found Adv       Date:  2016-02-16       Impact factor: 2.290

2.  Charge density view on bicalutamide molecular interactions in the monoclinic polymorph and androgen receptor binding pocket.

Authors:  Alexander A Korlyukov; Maura Malinska; Anna V Vologzhanina; Mikhail S Goizman; Damian Trzybinski; Krzysztof Wozniak
Journal:  IUCrJ       Date:  2020-01-01       Impact factor: 4.769

  2 in total

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