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Analysis of weighting schemes
Author(s) -
Spagna Riccardo,
Camalli Mercedes
Publication year - 1999
Publication title -
journal of applied crystallography
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 1.429
H-Index - 162
ISSN - 1600-5767
DOI - 10.1107/s0021889899007177
Subject(s) - weighting , maxima and minima , outlier , resolution (logic) , algorithm , computer science , index (typography) , mathematics , statistics , physics , artificial intelligence , mathematical analysis , world wide web , acoustics
Eighteen weighting schemes were implemented, together with two procedures of weighting modification to lessen the effects of outliers. Thirteen known structures were refined using the available weighting functions, obtaining for each structure many different minima. The solutions having the lowest R index do not give the best distributions of 〈 w Δ 2 〉 against | F | and resolution. Possibly the accepted model could be one which gives the `best' estimates of the standard uncertainties rather than the lowest R .