For serial crystallography at the SLS, the procedures that were in place more than a year ago are described in https://www.ncbi.nlm.nih.gov/pubmed/28573576 . I'd say these procedures are an order of magnitude more straightforward than what is in the paper that you cite, and give better results. Since then, a procedure was developed that made it possible to easily cluster (or select) similar data sets (https://www.ncbi.nlm.nih.gov/pubmed/28375141). This is available, for datasets processed with XDS, as xscale_isocluster, from XDSwiki. This opens new opportunities to work with serial crystallographic data (also those from XFEL), and if nothing else will result in better merged data through better selection.

The methods development in this field is ongoing, and the current state will be displayed at next week's ISSX2 workshop at the SLS ( http://indico.psi.ch/conferenceDisplay.py?confId=5553 ). It will also be one topic at the forthcoming 2018 CCP4 Study Weekend (https://eventbooking.stfc.ac.uk/news-events/ccp4-study-weekend-2018-384).

HTH,

Kay


On Tue, 21 Nov 2017 09:50:39 -0800, Ethan A Merritt <[log in to unmask]> wrote:

>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