Loading
PDBj
MenuPDBj@FacebookPDBj@TwitterPDBj@YouTubewwPDB FoundationwwPDB
RCSB PDBPDBeBMRBAdv. SearchSearch help

How can I submit a hybrid structure factor data with two datasets(x-ray/neutron)?- FAQ

This page is also available in: 日本語

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

219869

PDB entries from 2024-05-15

PDB statisticsPDBj update infoContact PDBjnumon