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
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Tim Gruene
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Faculty of Chemistry
University of Vienna
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