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
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Created: 2023-06-16






