I think that POINTLESS works with intensities rather than structure factors (I’m not sure if this can be changed). Also, SCALEIT gives a much more detailed breakdown (R factors as a function of resolution and differences in terms of sigmas etc) than POINTLESS WILL.
Cheers, Andrew > On 26 Jul 2022, at 09:24, LEGRAND Pierre > <pierre.legr...@synchrotron-soleil.fr> wrote: > > Hello Mirek, > > A very quick approach for that is offered by pointless: > > pointless HKLREF 1_1_aimless.mtz HKLIN 2_1_aimless.mtz > or > pointless HKLREF 1_1_aimless.mtz XDSIN XDS_ASCII.HK > > You will obtain a table looking like that, taking into account to possible > reindexing: > > Alternative indexing scores relative to reference > Alternative reindexing Lklhd CC R(E^2) Number > Cell_deviation > 1 [h,k,l] 0.993 0.962 0.118 19150 > 0.08 > 2 [-k,h,l] 0.007 0.078 0.512 19150 > 0.87 > > > Best wishes, > > Pierre Legrand > PROXIMA-1 Beamline > Synchrotron SOLEIL > > De: "Nicolas Foos" <nicf...@embl.fr> > À: CCP4BB@JISCMAIL.AC.UK > Envoyé: Mardi 26 Juillet 2022 08:36:35 > Objet: Re: [ccp4bb] Comparing two datasets > > Hi Mirek, > > I am pretty sure XSCALE will do that for you : > https://xds.mr.mpg.de/html_doc/xscale_program.html > <https://xds.mr.mpg.de/html_doc/xscale_program.html> > If not, maybe have a look on SHELXC in SIR mode. > > Hope this help. > > Nicolas > > On 25/07/2022 21:52, Cygler, Miroslaw wrote: > Hi, > I would like to calculate the R-merge for Fs from two datasets processed from > two different crystals. Tried to use Blend but got the message that Blend > requires R. Downloaded R but do not know how to tell CCP4 where it is located > on my Mac. Is there another program that would take two mtg files and merge > the Fs? > Any help would be greatly appreciated. > > > Mirek > > > > > > To unsubscribe from the CCP4BB list, click the following link: > https://www.jiscmail.ac.uk/cgi-bin/WA-JISC.exe?SUBED1=CCP4BB&A=1 > <https://www.jiscmail.ac.uk/cgi-bin/WA-JISC.exe?SUBED1=CCP4BB&A=1> > -- > Nicolas Foos PhD - ARISE fellow > https://orcid.org/0000-0003-2331-8399 <https://orcid.org/0000-0003-2331-8399> > > EMBL Grenoble, McCarthy Team > 71 av. des Martyrs, > 38000 Grenoble FRANCE > > +33 4 57 42 84 67 > > To unsubscribe from the CCP4BB list, click the following link: > https://www.jiscmail.ac.uk/cgi-bin/WA-JISC.exe?SUBED1=CCP4BB&A=1 > <https://www.jiscmail.ac.uk/cgi-bin/WA-JISC.exe?SUBED1=CCP4BB&A=1> > > To unsubscribe from the CCP4BB list, click the following link: > https://www.jiscmail.ac.uk/cgi-bin/WA-JISC.exe?SUBED1=CCP4BB&A=1 > <https://www.jiscmail.ac.uk/cgi-bin/WA-JISC.exe?SUBED1=CCP4BB&A=1> ######################################################################## 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/
