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 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/
