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 element (of the size
about the resolution element) is being omitted and the starting point is
the map with coefficients m*Fo*exp(i*phiCalc)
BTW, composite omit map of a map with coefficients Fo*exp(i*phiCalc) is
simply Fo-1/2Fc map that after factor of 2 scaling becomes 2Fo-Fc map
> 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 29.50 3.22
> SCAL 1.0 0.0
> EOF
>
> The output maps are just different, and I wonder why. I am also more
concerned about which one is more appropriate for the sigmaa-weighted
2mFo-DFc composite omit map.
>
> (mFo is what I generated from the SIGMAA output)
>
> Thanks for any suggestions!
>
> Best Regards, Hailiang
>
Zbyszek Otwinowski
UT Southwestern Medical Center at Dallas
5323 Harry Hines Blvd.
Dallas, TX 75390-8816
Tel. 214-645-6385
Fax. 214-645-6353
Zbyszek Otwinowski
UT Southwestern Medical Center at Dallas
5323 Harry Hines Blvd.
Dallas, TX 75390-8816
Tel. 214-645-6385
Fax. 214-645-6353
