Well, it makes for consistency between the output when there is not, and
is, exptl phase information - in the 2nd case the PHWT is a weighted
derivative of the two phase estimates.
You could get away with just one of PHWT and PHDELWT since they can
only differ bu 180, but that would require writing mFO-DFC as a signed
number , and there were concerns about what programs would do with
negative "F" estimates at one point..
Eleanor
Dirk Kostrewa wrote:
Dear Eleaonor and CCP4ers,
I always wondered, why there are phase columns PHWT, PHDELWT (Refmac)
or PH2FOFCWT, PHFOFCWT (phenix.refine) in addition to the PHIC column
of the atomic model. In absence of other phase information, the phase
should come from the atomic model, only.
Best regards,
Dirk.
Am 18.06.2009 um 10:24 schrieb Eleanor Dodson:
It would be a cock-up map. Unless there is exptl phasing
PHDELWT = PHIC when mFo-DFc is positive, and mFo-DFc is negative it
equals PHIC + 180
Eleanor
Simon Kolstoe wrote:
Dear cootbb,
When building into density I use a map generated from the FWT
amplitudes column and PHWT phases columns which I think is my
2Fo-Fc, and a second map generated from DELFWT and PHDELWT which I
think is my Fo-Fc. This keeps me happy and in known territory.
However today someone in the lab asked what it means to generate a
map using FWT and PHDELWT. Does anyone know what type of map this
would be in the Fo Fc terminology?
Thanks,
Simon
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Dirk Kostrewa
Gene Center, A 5.07
Ludwig-Maximilians-University
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Germany
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