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CCP4BB  November 2010

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Subject:

whether the 2Fo-Fc composive omit or the sigmaa weighted 2mFo-DFc map has more model bias?

From:

Hailiang Zhang <[log in to unmask]>

Reply-To:

[log in to unmask]

Date:

Mon, 1 Nov 2010 01:14:11 -0400

Content-Type:

text/plain

Parts/Attachments:

Parts/Attachments

text/plain (25 lines)

Hi there,

I am using the following script to calculate the composive omit map:

./omit hklin ${f}.mtz mapout ${f}.map <<EOF
LABI FP=FP FC=Fcalc.FC PHI=PHIC
RESO 29.50 3.22
SCAL 2.0 -1.0
EOF

Here FP is the experimental Fo, Fcal.FC/PHIC are calculated structure
factor/phase from the model.

My output map seems quite biased toward the model, because if I remove a
partial model, the denisty at the removed region almost completely
dissappears.

I am wondering whether I did something in my script, or the omit map is
supposed to behave like that since it is not sigmaa weighted. Furthermore,
I am wondering whether the 2Fo-Fc composive omit or the sigmaa weighted
2mFo-DFc map has more model bias.

Thanks for any help!

Best Regards, Hailiang

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