dagewa / DIALS_for_ED_paper

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R2 defn of R1 #38

Closed dagewa closed 6 years ago

dagewa commented 6 years ago
  • Table 2: what is the definition of R1 ? Is that Rwork?
dagewa commented 6 years ago

We define Rcomplete in the footnote, but not R1.

TODO add definition of R1 to the footnote

clabbersm commented 6 years ago

We already mention it in the footnote?:

[3]{$R\textrm{complete}$ is a robust validation method, especially in cases where the data completeness is limited, making use of all reflections \cite{Brunger1997}, and $R\textrm{work}$ is thus equivalent to $R1$. $R_\textrm{complete}$ was calculated with a 0.2\% test set size as described \cite{Luebben2015,Clabbers2017}.}

tgruene commented 6 years ago

"$R1 = \frac{ \sum{(hkl)} \left| |F{obs}(hkl)| - |F{calc}(hkl)|\right| } { \sum{(hkl)} |F_{obs}(hkl)|} where the sum includes \emph{all} data." It is usually added as footnote to Table 1, but this practice is sometimes forgotten.