Old program RSTATS would give r factor.. But easist to run 0 cycles of REFMAC - at least then you know what the scaling algorithm might be.... Eleanor
On Mon, 1 Jul 2019 at 14:22, Robbie Joosten <robbie_joos...@hotmail.com> wrote: > If you are using SFTOOLS you might as well use the CORREL function to > calculate things. > > Datamining is easier though. Every PDB-REDO entry has a data.json file > that has all the numbers you need. > > Cheers, > Robbie > > > -----Original Message----- > > From: CCP4 bulletin board [mailto:CCP4BB@JISCMAIL.AC.UK] On Behalf Of > > Tim Grüne > > Sent: Monday, July 01, 2019 15:19 > > To: CCP4BB@JISCMAIL.AC.UK > > Subject: Re: [ccp4bb] R values from an .mtz file containing Fobs and > Fcalc > > > > Dear Andre, > > > > easiest would be to select the FP and FC_ALL with sftools, write out the > > values to a text file and calculate the R-value with a scripting > language like > > awk. > > > > Best, > > Tim > > > > Am 01.07.2019 15:02, schrieb Andre LB Ambrosio: > > > Dear colleagues, > > > > > > Can a CCP4 program calculate r_work and r_free directly from a .mtz > > > file containing FP and FC_ALL (from PDB_REDO)? this without inputing > > > the matching .pdb file and ideally using a commando line. > > > > > > Many thanks in advance, > > > > > > -- > > > > > > Andre LB Ambrosio > > > > > > ------------------------- > > > > > > 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
