> To: CCP4BB@JISCMAIL.AC.UK<mailto: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
y 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:
> > 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
&g
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 t
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
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
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