Thanks! Can you refer me some documents about your following statements:
derivation of sigmaa-weighted 2mFo-DFc formula is by calculating Fourier
coefficients of the following map:
Rescaled composite omit map, where minimal structural element (of the size
about the resolution element) is being
I am not aware of this point being explicitly made. Maybe somebody else
could point to the relevant reference?
However, the logic here is very simple:
(1) Take a model and generate from it Fc
(2) Calculate map with minimal rms error m*Fo*exp(i*phiCalc)
(3) This map is biased with respect to
Hi,
I want to calculate the sigmaa-weighted 2mFo-DFc composite omit map, and
tried the following 2 scripts:
(1)
./omit hklin ${f}.mtz mapout ${f}.map EOF
LABI FP=mFo FC=DFC PHI=PHIC
RESO 29.50 3.22
SCAL 2.0 -1.0
EOF
(2)
./omit hklin ${f}.mtz mapout ${f}.map EOF
LABI FP=FWT FC=FC PHI=PHIC
RESO
sigmaa-weighted 2mFo-DFc is the _COMPOSIT_OMIT_ map. There is no point in
calculating omit map of an omit map
A brief explanation: derivation of sigmaa-weighted 2mFo-DFc formula is by
calculating Fourier coefficients of the following map:
Rescaled composite omit map, where minimal structural
