Refmac doesn't output mFo as such, however it does output DFc: that's
what is in the columns FC & PHIC, or FC_ALL & PHIC_ALL if you want the
total DFc including solvent contribution.
You could obviously get mFo by multiplying the FP & FOM columns, or
you could do it using the fact that mFo = (2mFo-DFc) - (mFo-DFc), i.e.
subtract the DELFWT/PHDELWT from the FWT/PHWT columns. With the
latter you have to be careful to use the complex structure factors
since PHWT & PHDELWT are not necessarily equal. This will give you
mFo exp(i phi) from which mFo is obtained as the absolute value.
-- Ian
On Fri, Nov 5, 2010 at 5:12 AM, Hailiang Zhang <[log in to unmask]> wrote:
> Hi, there,
>
> Is there any way refmac can output the mtzfile including mFo/DFc columes?
>
> Thanks!
>
> Hailiang
>
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