How can I submit a hybrid structure factor data with two datasets(x-ray/neutron)?- FAQ
Q) How can I submit a hybrid structure factor data with two datasets(x-ray/neutron)?
A) You can generate a structure factor data with the following procedures.
(original.mtz contains as follows; I-obs-xray SIGI-obs-xray R-free-flags-xray I-obs-neutron SIGI-obs-neutron R-free-flags-neutron ) cad HKLIN1 original.mtz HKLOUT deposition.mtz >>eof-cad title [No title given] labin file_number 1 - E1 = I-obs-xray - E2 = SIGI-obs-xray - E3 = R-free-flags-xray - E4 = I-obs-neutron - E5 = SIGI-obs-neutron - E6 = R-free-flags-neutron dname file_number 1 - E1 = xray - E2 = xray - E3 = xray - E4 = neutron - E5 = neutron - E6 = neutron dpname file_number 1 crystal xray hybrid dpname file_number 1 crystal neutron hybrid dcell file_number 1 - crystal xray 78 78 36 90 90 90 dcell file_number 1 - crystal neutron 78 78 36 90 90 90 dwave file_number 1 crystal xray 1.0 dwave file_number 1 crystal neutron 1.0 END eof-cad[Back to the FAQ top]
Created: 2023-06-16