Not sure for other software, but in phenix.refine you can request to
output I*mFo-J*DFc map, where I and J are any user specified values.
Pavel.
On 7/7/2008 6:00 PM, Meyer, Peter wrote:
It is redundant, but it adds an additional step if someone wanted to calculate
something like a 3mFO-2DFc map.
Thanks,
Pete
-----Original Message-----
From: Kevin Cowtan [mailto:[EMAIL PROTECTED]
Sent: Mon 7/7/2008 10:18 AM
To: Meyer, Peter
Cc: [email protected]
Subject: Re: [ccp4bb] Definition of Fourier coefficients
Probably because in the classic implementation it is redundant, D being
derived directly from sigmaa.
Some programs refine D and sigmaa (or equivalent terms, such as Lunin's
alpha and beta) separately. This is conceptually equivalent to deriving
D from sigmaa and refining the scale between Fo and Fc simultaneously
with sigmaa.
Kevin
Meyer, Peter wrote:
Slightly off-topic from the original question, but is there a reason that most
programs don't output D for sigma_a coefficients?
Pete
-----Original Message-----
From: CCP4 bulletin board on behalf of Mayer, Mark (NIH/NICHD) [E]
Sent: Sat 7/5/2008 2:39 PM
To: [email protected]
Subject: [ccp4bb] Definition of Fourier coefficients
Hi,
What do m and D indicate in the Fourier coefficients for a 2mFo-DFc map?
I've dug a bit in web and CCP4 doc but not found an explanation, though I'm
sure its there.
Thanks,
Mark
