If you give Pointless Fs, it squares them to Is (not correct if the Fs have been derived from the truncate procedure, but not too bad). It will then give you a comparison. If you give the two datasets to Pointless, labelling them as different datasets, you can use Aimless to compare them
But as Andrew said, the appropriate CCP4 program is Scaleit: it’s old but still works and gives lots of statistics Phil Sent from my iPhone > On 26 Jul 2022, at 09:37, Andrew Leslie - MRC LMB <and...@mrc-lmb.cam.ac.uk> > wrote: > > 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 >> >> 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 >> >> -- >> Nicolas Foos PhD - ARISE fellow >> 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 >> >> >> >> To unsubscribe from the CCP4BB list, click the following link: >> 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 ######################################################################## 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/
