Yes - I wondered how much data can be extracted from each crystal.. Eleanor
On Fri, 22 Jul 2022 at 19:23, Kay Diederichs <kay.diederi...@uni-konstanz.de> wrote: > Hi Eleanor, > > yes, for sufficiently complete datasets a reference dataset is enough. > But in serial crystallography, there is typically little overlap between > individual data sets. And the data quality is often low. > > In my posting I forgot to say that CrystFEL also has a facility to > overcome indexing ambiguity. > > Best wishes, > Kay > > On Fri, 22 Jul 2022 19:02:19 +0100, Eleanor Dodson < > eleanor.dod...@york.ac.uk> wrote: > > >Surely once you have indexed one crystal, you can use the facility to > check > >the next ones indexing against the reference - aka pointless? > > > >On Fri, 22 Jul 2022 at 16:20, Kay Diederichs < > kay.diederi...@uni-konstanz.de> > >wrote: > > > >> Hi Monika, > >> > >> in June we had a summer school at MaxIV, and one of the topics was > serial > >> crystallography - with lectures and tutorials. Maybe you can talk to the > >> people who attended the course, and the organizers, Ana Gonzalez and > Thomas > >> Ursby, and ask them for help. > >> > >> It is more difficult to determine the spacegroup in serial > >> crystallography, compared to conventional crystallography. This is > because > >> there are several spacegroups that have an indexing ambiguity > >> (non-equivalent ways to index a given diffraction pattern), e.g. P3, P4, > >> P6, P321, ..., altogether 38 out of the 65 Sohncke groups . So just > merging > >> the data blindly may give you "computationally twinned" data. Take a > look > >> at doi:10.1107/S1399004713025431 . > >> > >> If you use XDS/XSCALE, you can analyze the scaled but unmerged data with > >> xscale_isocluster . > >> If you use DIALS, you could use dials.cosym for this purpose. > >> > >> Best wishes, > >> Kay > >> > >> On Fri, 22 Jul 2022 09:51:14 +0000, Monika Bjelcic < > >> monika.bjel...@maxiv.lu.se> wrote: > >> > >> >Hi, > >> > > >> >I’m hoping someone can help me how to determine a space group from my > >> collection. > >> >I did serial crystallography on a crystal that doesn’t have a cryo > >> structure. I was able to determine the Point group but for the next step > >> I’m stuck. > >> > > >> >Kind regards, > >> >Monika Bjelcic > >> >PhD student at BioMAX > >> >[cid:image001.jpg@01D3B796.B7E175A0] > >> >MAX IV Laboratory > >> >Lund University > >> >Postal address: P.O. Box 118, SE-221 00 Lund, Sweden > >> >Visiting address: Fotongatan 2, 224 84 Lund, Sweden > >> >Mobile: +46-761357994 > >> > > >> > > >> > >######################################################################## > >> > > >> >To unsubscribe from the CCP4BB list, click the following link: > >> >https://www.jiscmail.ac.uk/cgi-bin/WA-JISC.exe?SUBED1=CCP4BB&A=1 > >> > > >> >This message was issued to members of www.jiscmail.ac.uk/CCP4BB, a > >> mailing list hosted by www.jiscmail.ac.uk, terms & conditions are > >> available at https://www.jiscmail.ac.uk/policyandsecurity/ > >> > >> ######################################################################## > >> > >> To unsubscribe from the CCP4BB list, click the following link: > >> https://www.jiscmail.ac.uk/cgi-bin/WA-JISC.exe?SUBED1=CCP4BB&A=1 > >> > >> This message was issued to members of www.jiscmail.ac.uk/CCP4BB, a > >> mailing list hosted by www.jiscmail.ac.uk, terms & conditions are > >> available at https://www.jiscmail.ac.uk/policyandsecurity/ > >> > > > >######################################################################## > > > >To unsubscribe from the CCP4BB list, click the following link: > >https://www.jiscmail.ac.uk/cgi-bin/WA-JISC.exe?SUBED1=CCP4BB&A=1 > > > >This message was issued to members of www.jiscmail.ac.uk/CCP4BB, a > mailing list hosted by www.jiscmail.ac.uk, terms & conditions are > available at https://www.jiscmail.ac.uk/policyandsecurity/ > > > > > ######################################################################## To unsubscribe from the CCP4BB list, click the following link: https://www.jiscmail.ac.uk/cgi-bin/WA-JISC.exe?SUBED1=CCP4BB&A=1 This message was issued to members of www.jiscmail.ac.uk/CCP4BB, a mailing list hosted by www.jiscmail.ac.uk, terms & conditions are available at https://www.jiscmail.ac.uk/policyandsecurity/
