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 <[email protected]> wrote: > Hi, there, > > Is there any way refmac can output the mtzfile including mFo/DFc columes? > > Thanks! > > Hailiang >
