Not only does SCALEIT do the job - it presented useful plots and an informative log file.. Eleanor (You need to run CAD hklin1 Xtal1.mtz hklin2 Xtal2.mtz ...and obviously the columns from each Xtal will need different labels..)
On Tue, 26 Jul 2022 at 09:45, Phil Evans <p...@mrc-lmb.cam.ac.uk> wrote: > 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 fellowhttps://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 > ######################################################################## 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/
