On Tuesday, November 21, 2017 9:32:15 AM PST CPMAS Chen wrote: > Hi, CCP4ers, > > I came across this paper about improving data by microdiffraction data > assembly method from Raymond C. Stevens group, > https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3338336/#SD1. > > By reading their methods, this seems to me like manually selecting data > based on Rmerge. After almost 5 years, do we have a better/quicker > script-based method to do so?
The difficulty they faced was essentially identical to that faced by all the nanocrystal + XFEL experiments performed since then. The data processing software being developed for XFEL probably does what you are asking for. You might start here: http://viper.lbl.gov/cctbx.xfel/index.php/Main_Page The issue is that each crystal contributes only a small slice of reciprocal space to the data. In the case of XFEL data this is only a still image. In the paper you cite it was more than that, but still very small compared to "normal" data sets. Ethan > Their data improved not only in resolution, but also in the statistics. The > method seems impressive. > Thanks! > > Charles > > -- Ethan A Merritt Biomolecular Structure Center, K-428 Health Sciences Bldg MS 357742, University of Washington, Seattle 98195-7742
