Re: [ccp4bb] R factor from merged data

2014-01-30 Thread Eleanor Dodson
I am afraid there is no real solution except to read the paper! And even that doesnt help if you suspect the merging.. There is lots of discussion about the merit of depositing UNMERGED data - and that would certainly help developers. Add your voice to the request! Eleanor On 30 January 2014 08:2

Re: [ccp4bb] R factor from merged data

2014-01-30 Thread Frank von Delft
I think the name says it all: "Rmerge" "merged data" So no, there wouldn't be. You'll find it in the header. On 30/01/2014 08:18, Fulvio Saccoccia wrote: Dear ccp4 users, does anyone know if there is a way to (re)calculate the Rmerge from a deposited .cif file in PDB? In this case is

[ccp4bb] R factor from merged data

2014-01-30 Thread Fulvio Saccoccia
Dear ccp4 users, does anyone know if there is a way to (re)calculate the Rmerge from a deposited .cif file in PDB? In this case is an already merged structure factor file. I know that the EDS from Uppsala makes it, providing the PDB entry, but I need a procedure in order to do it by myself. I see