Hi, Thanks everyone for the answers! I was able to identify my R free sets and they are the same =D
Best regards Mariana ________________________________ De: CCP4 bulletin board <[email protected]> em nome de Eleanor Dodson <[email protected]> Enviado: terça-feira, 17 de setembro de 2019 11:29 Para: [email protected] <[email protected]> Assunto: Re: [ccp4bb] Rfree from another mtz file If you use either GUI2 or GUI you simply name the old file you want to take the FreeR flags from.. The pipeline then initiates the steps catalogued by Robbie.. Eleanor As Tim, and others say, you can assign new FreeR flags, but dont get upset when starting refinement with the prevuis model you see the Free R steadily increasing with refinement for several cycles! Eleanor On Tue, 17 Sep 2019 at 06:15, Robbie Joosten <[email protected]<mailto:[email protected]>> wrote: I totally agree. And because the new dataset is of higher resolution, there will be new reflections in the test set anyway. Now if you want to use the same testset always for series of isomorphous datasets (even though you do not need to), you can do this: - Use unique to make a full set of reflections given your space group and cell dimensions - Assign a testset to that file using the program freerflag Foreach dataset: - Copy over the testset from you master file End Note that the testsets in the datasets will be super/subsets of each other but assuming the data are complete they will be the same if you use the same resolution cut-offs. Cheers, Robbie On 17 Sep 2019 02:17, Tim Gruene <[email protected]<mailto:[email protected]>> wrote: Dear Mariana, you can simply create a new set for Rfree, independently of the previous one. It will be as good as the copied one, and there is no reason why you would need to maintain the same flags. As Ian Tickle explained only briefly ago, your new data set will have new, independent errors. Best regards, Tim On Tuesday, September 17, 2019 12:29:19 AM CEST Mariana Ajalla wrote: > Dear all, > > We tried to use the Rfree set from a lower resolution data with a higher > resolution from the same Crystal. To do so We used aimless at ccp4i with > the option use free flag from another mtz file and extend the data. > > I think it worked, but now we don't know how to be sure we have the same > Rfree set. Does anyone have a way to prove it? > Thank you in advance, > Best, > Mariana > > ######################################################################## > > To unsubscribe from the CCP4BB list, click the following link: > https://www.jiscmail.ac.uk/cgi-bin/webadmin?SUBED1=CCP4BB&A=1 -- -- Tim Gruene Head of the Centre for X-ray Structure Analysis Faculty of Chemistry University of Vienna Phone: +43-1-4277-70202 GPG Key ID = A46BEE1A ######################################################################## To unsubscribe from the CCP4BB list, click the following link: https://www.jiscmail.ac.uk/cgi-bin/webadmin?SUBED1=CCP4BB&A=1 ________________________________ To unsubscribe from the CCP4BB list, click the following link: https://www.jiscmail.ac.uk/cgi-bin/webadmin?SUBED1=CCP4BB&A=1 ________________________________ To unsubscribe from the CCP4BB list, click the following link: https://www.jiscmail.ac.uk/cgi-bin/webadmin?SUBED1=CCP4BB&A=1 ######################################################################## To unsubscribe from the CCP4BB list, click the following link: https://www.jiscmail.ac.uk/cgi-bin/webadmin?SUBED1=CCP4BB&A=1
